3-chloranyl-11-(phenylmethyl)-6-piperazin-1-yl-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-11-(phenylmethyl)-6-piperazin-1-yl-benzo[b][1,4]benzodiazepine Openeye Name: 11-benzyl-3-chloro-6-piperazin-1-yl-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-11-(phenylmethyl)-6-(1-piperazinyl)benzo[b][1,4]benzodiazepine IUPAC Name: 11-benzyl-3-chloro-6-piperazin-1-ylbenzo[b][1,4]benzodiazepine Traditional Name: 11-benzyl-3-chloro-6-piperazino-benzo[b][1,4]benzodiazepine Formula: C24H23ClN4 MolecularWeight: 402.91922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C24H23ClN4/c25-19-10-11-23-21(16-19)27-24(28-14-12-26-13-15-28)20-8-4-5-9-22(20)29(23)17-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2