3-chloranyl-6-[4-(3-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-6-[4-(3-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-6-[4-(m-tolyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-6-[4-(3-methylphenyl)-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 3-chloro-6-[4-(m-tolyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

InChI

InChI=1S/C24H22ClN3O/c1-17-5-4-6-19(15-17)27-11-13-28(14-12-27)24-20-7-2-3-8-22(20)29-23-10-9-18(25)16-21(23)26-24/h2-10,15-16H,11-14H2,1H3