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

Systemtic Name: 3-chloranyl-6-[4-(4-pyridin-4-ylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-[4-(4-pyridyl)butyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(4-pyridin-4-ylbutyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(4-pyridin-4-ylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-[4-(4-pyridyl)butyl]piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C26H28ClN5 MolecularWeight: 445.98702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=NC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=NC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C26H28ClN5/c27-21-8-9-24-25(19-21)30-26(22-6-1-2-7-23(22)29-24)32-17-15-31(16-18-32)14-4-3-5-20-10-12-28-13-11-20/h1-2,6-13,19,30H,3-5,14-18H2