1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propan-1-one Traditional Name: 3-(1H-indol-3-yl)-3-(3-nitrophenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H28N4O5/c34-29(32-12-10-31(11-13-32)18-20-8-9-27-28(14-20)38-19-37-27)16-24(21-4-3-5-22(15-21)33(35)36)25-17-30-26-7-2-1-6-23(25)26/h1-9,14-15,17,24,30H,10-13,16,18-19H2