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

Systemtic Name: 3-chloranyl-6-[4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-[3-(3-pyridyl)propyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-[3-(3-pyridinyl)propyl]-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-[3-(3-pyridyl)propyl]piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C25H26ClN5 MolecularWeight: 431.96044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CN=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCC2=CN=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN5/c26-20-9-10-23-24(17-20)29-25(21-7-1-2-8-22(21)28-23)31-15-13-30(14-16-31)12-4-6-19-5-3-11-27-18-19/h1-3,5,7-11,17-18,29H,4,6,12-16H2