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

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-isobutyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O6/c1-17(2)15-29-16-22(20-13-23(35-3)24(36-4)14-21(20)25(29)31)26(32)28-11-9-27(10-12-28)18-5-7-19(8-6-18)30(33)34/h5-8,13-14,16-17H,9-12,15H2,1-4H3