6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 6,7-diethoxy-2-isobutyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 6,7-diethoxy-2-(2-methylpropyl)-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 6,7-diethoxy-2-isobutyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OCC

InChI

InChI=1S/C28H34N4O6/c1-5-37-25-15-22-23(16-26(25)38-6-2)27(33)31(17-19(3)4)18-24(22)28(34)30-13-11-29(12-14-30)20-7-9-21(10-8-20)32(35)36/h7-10,15-16,18-19H,5-6,11-14,17H2,1-4H3