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

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-isobutyl-6,7-dimethoxy-4-[4-(2-pyridyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-[4-(2-pyridyl)piperazine-1-carbonyl]isocarbostyril Formula: C25H30N4O4 MolecularWeight: 450.5301

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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=CC=N4

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H30N4O4/c1-17(2)15-29-16-20(18-13-21(32-3)22(33-4)14-19(18)24(29)30)25(31)28-11-9-27(10-12-28)23-7-5-6-8-26-23/h5-8,13-14,16-17H,9-12,15H2,1-4H3