5-(dimethylamino)-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 5-(dimethylamino)-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Openeye Name: 5-(dimethylamino)-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one CAS Name: 5-(dimethylamino)-3-(4-methyl-1-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 5-(dimethylamino)-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Traditional Name: 5-(dimethylamino)-3-(4-methylpiperazino)isocarbostyril Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC=C3N(C)C)C(=O)N2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC=C3N(C)C)C(=O)N2

InChI

InChI=1S/C16H22N4O/c1-18(2)14-6-4-5-12-13(14)11-15(17-16(12)21)20-9-7-19(3)8-10-20/h4-6,11H,7-10H2,1-3H3,(H,17,21)