2,3-bis(oxidanyl)butanedioic acid; 2-[3-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-[3-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one CAS Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-4-phenylisoquinolin-1-one Traditional Name: 2-[3-(dimethylamino)propyl]-4-phenyl-isocarbostyril; tartaric acid Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O.C4H6O6/c1-21(2)13-8-14-22-15-19(16-9-4-3-5-10-16)17-11-6-7-12-18(17)20(22)23;5-1(3(7)8)2(6)4(9)10/h3-7,9-12,15H,8,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)