3-chloranyl-6-[4-(7-phenylheptyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-(7-phenylheptyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(7-phenylheptyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(7-phenylheptyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(7-phenylheptyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(7-phenylheptyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C30H35ClN4 MolecularWeight: 487.0787

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C30H35ClN4/c31-25-16-17-28-29(23-25)33-30(26-14-8-9-15-27(26)32-28)35-21-19-34(20-22-35)18-10-3-1-2-5-11-24-12-6-4-7-13-24/h4,6-9,12-17,23,33H,1-3,5,10-11,18-22H2