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

Systemtic Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-nitro-2H-isoquinolin-1-one Openeye Name: 3-[4-(dimethylamino)-1-piperidyl]-5-nitro-2H-isoquinolin-1-one CAS Name: 3-[4-(dimethylamino)-1-piperidinyl]-5-nitro-2H-isoquinolin-1-one IUPAC Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-nitro-2H-isoquinolin-1-one Traditional Name: 3-[4-(dimethylamino)piperidino]-5-nitro-isocarbostyril Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C16H20N4O3/c1-18(2)11-6-8-19(9-7-11)15-10-13-12(16(21)17-15)4-3-5-14(13)20(22)23/h3-5,10-11H,6-9H2,1-2H3,(H,17,21)