3-chloranyl-6-[4-(10-phenyldecyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-(10-phenyldecyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(10-phenyldecyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(10-phenyldecyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(10-phenyldecyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(10-phenyldecyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C33H41ClN4 MolecularWeight: 529.15844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCCCCCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C33H41ClN4/c34-28-19-20-31-32(26-28)36-33(29-17-11-12-18-30(29)35-31)38-24-22-37(23-25-38)21-13-6-4-2-1-3-5-8-14-27-15-9-7-10-16-27/h7,9-12,15-20,26,36H,1-6,8,13-14,21-25H2