1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-[(2-methylphenyl)methyl]piperazine

Systemtic Name: 1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-[(2-methylphenyl)methyl]piperazine Openeye Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-(o-tolylmethyl)piperazine CAS Name: 1-(4-chloro-6-benzo[b][1]benzoxepinyl)-4-[(2-methylphenyl)methyl]piperazine IUPAC Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-[(2-methylphenyl)methyl]piperazine Traditional Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-(2-methylbenzyl)piperazine Formula: C26H25ClN2O MolecularWeight: 416.9425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

InChI

InChI=1S/C26H25ClN2O/c1-19-7-2-3-8-20(19)18-28-13-15-29(16-14-28)24-17-22-23(27)10-6-12-26(22)30-25-11-5-4-9-21(24)25/h2-12,17H,13-16,18H2,1H3