7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methoxy-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-methoxy-7-(4-piperonylpiperazino)-11H-benzo[b][1,4]benzodiazepine Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)NC3=CC=CC=C3N=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=C(C2=C(C=C1)NC3=CC=CC=C3N=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

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