1-(4-methoxybenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(4-methoxybenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-methoxybenzo[b][1]benzoxepin-6-yl)piperazine CAS Name: 1-(4-methoxy-6-benzo[b][1]benzoxepinyl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-methoxybenzo[b][1]benzoxepin-6-yl)piperazine Traditional Name: 1-benzyl-4-(4-methoxybenzo[b][1]benzoxepin-6-yl)piperazine Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(C3=CC=CC=C3O2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C=C(C3=CC=CC=C3O2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c1-29-24-12-7-13-26-22(24)18-23(21-10-5-6-11-25(21)30-26)28-16-14-27(15-17-28)19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3