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

Systemtic Name: 3-chloranyl-6-[4-(3-pyridin-4-ylpropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-[3-(4-pyridyl)propyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(3-pyridin-4-ylpropyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(3-pyridin-4-ylpropyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-[3-(4-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=CC=NC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

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

InChI

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