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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine Traditional Name: 6-(4-piperonylpiperazino)-11H-benzo[b][1,4]benzodiazepine Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5NC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5NC6=CC=CC=C64

InChI

InChI=1S/C25H24N4O2/c1-2-6-20-19(5-1)25(27-22-8-4-3-7-21(22)26-20)29-13-11-28(12-14-29)16-18-9-10-23-24(15-18)31-17-30-23/h1-10,15,26H,11-14,16-17H2