2,3-bis(oxidanyl)butanedioic acid; 5-methyl-3-[1-(phenylmethyl)pyrrolidin-3-yl]-2H-isoquinolin-1-one

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 5-methyl-3-[1-(phenylmethyl)pyrrolidin-3-yl]-2H-isoquinolin-1-one Openeye Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-2H-isoquinolin-1-one; 2,3-dihydroxybutanedioic acid CAS Name: 2,3-dihydroxybutanedioic acid; 5-methyl-3-[1-(phenylmethyl)-3-pyrrolidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-2H-isoquinolin-1-one; 2,3-dihydroxybutanedioic acid Traditional Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-isocarbostyril; tartaric acid Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)CC4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)CC4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O.C4H6O6/c1-15-6-5-9-18-19(15)12-20(22-21(18)24)17-10-11-23(14-17)13-16-7-3-2-4-8-16;5-1(3(7)8)2(6)4(9)10/h2-9,12,17H,10-11,13-14H2,1H3,(H,22,24);1-2,5-6H,(H,7,8)(H,9,10)