3-azanyl-4-[3-(dimethylamino)propanoyl]-2H-isoquinolin-1-one; ethanedioic acid

Systemtic Name: 3-azanyl-4-[3-(dimethylamino)propanoyl]-2H-isoquinolin-1-one; ethanedioic acid Openeye Name: 3-amino-4-[3-(dimethylamino)propanoyl]-2H-isoquinolin-1-one; oxalic acid CAS Name: 3-amino-4-[3-(dimethylamino)-1-oxopropyl]-2H-isoquinolin-1-one; oxalic acid IUPAC Name: 3-amino-4-[3-(dimethylamino)propanoyl]-2H-isoquinolin-1-one; oxalic acid Traditional Name: 3-amino-4-[3-(dimethylamino)propanoyl]isocarbostyril; oxalic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)C1=C(NC(=O)C2=CC=CC=C21)N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC(=O)C1=C(NC(=O)C2=CC=CC=C21)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17N3O2.C2H2O4/c1-17(2)8-7-11(18)12-9-5-3-4-6-10(9)14(19)16-13(12)15;3-1(4)2(5)6/h3-6H,7-8H2,1-2H3,(H3,15,16,19);(H,3,4)(H,5,6)