3-chloranyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(2-phenoxyethyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(2-phenoxyethyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(2-phenoxyethyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(2-phenoxyethyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C25H25ClN4O MolecularWeight: 432.9452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C25H25ClN4O/c26-19-10-11-23-24(18-19)28-25(21-8-4-5-9-22(21)27-23)30-14-12-29(13-15-30)16-17-31-20-6-2-1-3-7-20/h1-11,18,28H,12-17H2