[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H22N4O5/c32-27(30-13-11-29(12-14-30)19-6-8-20(9-7-19)31(33)34)22-16-24(28-23-4-2-1-3-21(22)23)18-5-10-25-26(15-18)36-17-35-25/h1-10,15-16H,11-14,17H2