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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-nitrobenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrobenzo[b][1,4]benzoxazepine Traditional Name: 3-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=C(C=CC(=C5)[N+](=O)[O-])OC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=C(C=CC(=C5)[N+](=O)[O-])OC6=CC=CC=C64

InChI

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