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

Systemtic Name: 3-azanyl-4-[4-(dimethylamino)butanoyl]-2H-isoquinolin-1-one; ethanedioic acid Openeye Name: 3-amino-4-[4-(dimethylamino)butanoyl]-2H-isoquinolin-1-one; oxalic acid CAS Name: 3-amino-4-[4-(dimethylamino)-1-oxobutyl]-2H-isoquinolin-1-one; oxalic acid IUPAC Name: 3-amino-4-[4-(dimethylamino)butanoyl]-2H-isoquinolin-1-one; oxalic acid Traditional Name: 3-amino-4-[4-(dimethylamino)butanoyl]isocarbostyril; oxalic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2.C2H2O4/c1-18(2)9-5-8-12(19)13-10-6-3-4-7-11(10)15(20)17-14(13)16;3-1(4)2(5)6/h3-4,6-7H,5,8-9H2,1-2H3,(H3,16,17,20);(H,3,4)(H,5,6)