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

Systemtic Name: 3-chloranyl-6-[4-(4-pyrimidin-5-ylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(4-pyrimidin-5-ylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-[4-(5-pyrimidinyl)butyl]-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(4-pyrimidin-5-ylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-[4-(5-pyrimidyl)butyl]piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C25H27ClN6 MolecularWeight: 446.97508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6/c26-20-8-9-23-24(15-20)30-25(21-6-1-2-7-22(21)29-23)32-13-11-31(12-14-32)10-4-3-5-19-16-27-18-28-17-19/h1-2,6-9,15-18,30H,3-5,10-14H2