1-(5-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-(5-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(5-chlorobenzo[b][1]benzoxepin-6-yl)-4-(3-pyridylmethyl)piperazine CAS Name: 1-(5-chloro-6-benzo[b][1]benzoxepinyl)-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-(5-chlorobenzo[b][1]benzoxepin-6-yl)-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-(5-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=C(C4=CC=CC=C4OC5=CC=CC=C53)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C(C4=CC=CC=C4OC5=CC=CC=C53)Cl

InChI

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