3-chloranyl-6-[4-(5-phenylpentyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-(5-phenylpentyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(5-phenylpentyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(5-phenylpentyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(5-phenylpentyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(5-phenylpentyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C28H31ClN4 MolecularWeight: 459.02554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4/c29-23-14-15-26-27(21-23)31-28(24-12-6-7-13-25(24)30-26)33-19-17-32(18-20-33)16-8-2-5-11-22-9-3-1-4-10-22/h1,3-4,6-7,9-10,12-15,21,31H,2,5,8,11,16-20H2