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

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-isobutyl-6,7-dimethoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]isocarbostyril Formula: C24H29N5O4 MolecularWeight: 451.51816

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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=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-16(2)14-29-15-19(17-12-20(32-3)21(33-4)13-18(17)22(29)30)23(31)27-8-10-28(11-9-27)24-25-6-5-7-26-24/h5-7,12-13,15-16H,8-11,14H2,1-4H3