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

Systemtic Name: 3-chloranyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(3-phenoxypropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(3-phenoxypropyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(3-phenoxypropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(3-phenoxypropyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C26H27ClN4O MolecularWeight: 446.97178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O/c27-20-11-12-24-25(19-20)29-26(22-9-4-5-10-23(22)28-24)31-16-14-30(15-17-31)13-6-18-32-21-7-2-1-3-8-21/h1-5,7-12,19,29H,6,13-18H2