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

Systemtic Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(dimethylamino)-1-piperidyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[4-(dimethylamino)-1-piperidinyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[4-(dimethylamino)piperidino]-5-methyl-isocarbostyril Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCC(CC3)N(C)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCC(CC3)N(C)C

InChI

InChI=1S/C17H23N3O/c1-12-5-4-6-14-15(12)11-16(18-17(14)21)20-9-7-13(8-10-20)19(2)3/h4-6,11,13H,7-10H2,1-3H3,(H,18,21)