Chemical Components in the PDB

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DZP : Summary

Code

DZP

One-letter code

X

Molecule name

7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE

Systematic names

ProgramVersionName
ACDLabs 10.04 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
OpenEye OEToolkits 1.5.0 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Formula

C16 H13 Cl N2 O

Formal charge

0

Molecular weight

284.74 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3
SMILES CACTVS 3.341 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
SMILES OpenEye OEToolkits 1.5.0 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
Canonical SMILES CACTVS 3.341 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

IUPAC InChI

InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

IUPAC InChI key

AAOVKJBEBIDNHE-UHFFFAOYSA-N
DZP

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-07-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned