6,7-diethoxy-2-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-diethoxy-2-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 6,7-diethoxy-2-isobutyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 6,7-diethoxy-2-(2-methylpropyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 6,7-diethoxy-2-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 6,7-diethoxy-2-isobutyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]isocarbostyril Formula: C27H34N4O4 MolecularWeight: 478.58326

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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=CC=N4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)N3CCN(CC3)C4=CC=CC=N4)OCC

InChI

InChI=1S/C27H34N4O4/c1-5-34-23-15-20-21(16-24(23)35-6-2)26(32)31(17-19(3)4)18-22(20)27(33)30-13-11-29(12-14-30)25-9-7-8-10-28-25/h7-10,15-16,18-19H,5-6,11-14,17H2,1-4H3