Chemical Components in the PDB

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N6W : Summary

Code

N6W

One-letter code

X

Molecule name

benzo[b][1]benzazepine-11-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 benzo[b][1]benzazepine-11-carboxamide

Formula

C15 H12 N2 O

Formal charge

0

Molecular weight

236.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)N1c2ccccc2C=Cc3ccccc13
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)N1c2ccccc2C=Cc3ccccc13
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

IUPAC InChI

InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

IUPAC InChI key

FFGPTBGBLSHEPO-UHFFFAOYSA-N
N6W

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-11-14

Last modified at

2020-02-21

Status

Released

Obsoleted

Not Assigned