3-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinolin-1-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinolin-1-one Openeye Name: 3-methyl-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]isoquinolin-1-one CAS Name: 3-methyl-2-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-isoquinolinone IUPAC Name: 3-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-3-methyl-isocarbostyril Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O2/c1-16-14-17-6-2-3-7-18(17)21(27)25(16)15-20(26)24-12-10-23(11-13-24)19-8-4-5-9-22-19/h2-9,14H,10-13,15H2,1H3