6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-nitro-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-nitro-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-nitro-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-10-nitrobenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-10-nitrobenzo[b][1,4]benzoxazepine Traditional Name: 10-nitro-6-(4-piperonylpiperazino)benzo[b][1,4]benzoxazepine Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=C4C=CC=C6[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=C4C=CC=C6[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c30-29(31)20-6-3-4-18-24(20)34-21-7-2-1-5-19(21)26-25(18)28-12-10-27(11-13-28)15-17-8-9-22-23(14-17)33-16-32-22/h1-9,14H,10-13,15-16H2