3-[4-(dimethylamino)piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)N(C)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)N(C)C

InChI

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