3-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-6-[4-(o-tolyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 3-chloro-6-[4-(o-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=C1N2CCN(CC2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

InChI

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