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

Systemtic Name: 2-ethyl-6,7-dimethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-ethyl-6,7-dimethoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-ethyl-6,7-dimethoxy-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 2-ethyl-6,7-dimethoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-ethyl-6,7-dimethoxy-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]isocarbostyril Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5O4/c1-4-25-14-17(15-12-18(30-2)19(31-3)13-16(15)20(25)28)21(29)26-8-10-27(11-9-26)22-23-6-5-7-24-22/h5-7,12-14H,4,8-11H2,1-3H3