6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methylbenzo[b][1,4]benzoxazepine Traditional Name: 3-methyl-6-(4-piperonylpiperazino)benzo[b][1,4]benzoxazepine Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3C(=N2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3C(=N2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H25N3O3/c1-18-6-8-23-21(14-18)27-26(20-4-2-3-5-22(20)32-23)29-12-10-28(11-13-29)16-19-7-9-24-25(15-19)31-17-30-24/h2-9,14-15H,10-13,16-17H2,1H3