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

Systemtic Name: 1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-[(4-methoxyphenyl)methyl]piperazine Openeye Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-[(4-methoxyphenyl)methyl]piperazine CAS Name: 1-(4-chloro-6-benzo[b][1]benzoxepinyl)-4-[(4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-[(4-methoxyphenyl)methyl]piperazine Traditional Name: 1-(4-chlorobenzo[b][1]benzoxepin-6-yl)-4-p-anisyl-piperazine Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

InChI

InChI=1S/C26H25ClN2O2/c1-30-20-11-9-19(10-12-20)18-28-13-15-29(16-14-28)24-17-22-23(27)6-4-8-26(22)31-25-7-3-2-5-21(24)25/h2-12,17H,13-16,18H2,1H3