6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-methoxy-6-(4-piperonylpiperazino)-11H-benzo[b][1,4]benzodiazepine Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N4O3/c1-31-19-7-8-21-20(15-19)26(28-23-5-3-2-4-22(23)27-21)30-12-10-29(11-13-30)16-18-6-9-24-25(14-18)33-17-32-24/h2-9,14-15,27H,10-13,16-17H2,1H3