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7V7 : Summary
Code
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7V7
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One-letter code
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X
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Molecule name
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N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
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Systematic names
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Formula
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C22 H28 N2 O
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Formal charge
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0
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Molecular weight
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336.471 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3 |
SMILES
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CACTVS |
3.385 |
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 |
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IUPAC InChI | InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 |
IUPAC InChI key | PJMPHNIQZUBGLI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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53 (25 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2016-12-06
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Last modified at
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2017-09-29
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Status
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Released
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Obsoleted
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Not Assigned
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