1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-(3-pyridylmethyl)piperazine CAS Name: 1-(4-chloro-6-benzo[b][1]benzoxepinyl)-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-(3-pyridylmethyl)piperazine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

InChI

InChI=1S/C24H22ClN3O/c25-21-7-3-9-24-20(21)15-22(19-6-1-2-8-23(19)29-24)28-13-11-27(12-14-28)17-18-5-4-10-26-16-18/h1-10,15-16H,11-14,17H2