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

Systemtic Name: 3-chloranyl-6-[4-(3-phenylmethoxypropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[4-(3-benzyloxypropyl)piperazin-1-yl]-3-chloro-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(3-phenylmethoxypropyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(3-phenylmethoxypropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 6-[4-(3-benzoxypropyl)piperazino]-3-chloro-5H-benzo[b][1,4]benzodiazepine Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCOCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4O/c28-22-11-12-25-26(19-22)30-27(23-9-4-5-10-24(23)29-25)32-16-14-31(15-17-32)13-6-18-33-20-21-7-2-1-3-8-21/h1-5,7-12,19,30H,6,13-18,20H2