2,3-bis(oxidanyl)butanedioic acid; 2-(1-methylpiperidin-4-yl)-5-phenyl-4-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-(1-methylpiperidin-4-yl)-5-phenyl-4-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 4-benzyl-2-(1-methyl-4-piperidyl)-5-phenyl-1H-pyrazol-3-one; 2,3-dihydroxybutanedioic acid CAS Name: 2,3-dihydroxybutanedioic acid; 2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 4-benzyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one; 2,3-dihydroxybutanedioic acid Traditional Name: 4-benzyl-2-(1-methyl-4-piperidyl)-5-phenyl-3-pyrazolin-3-one; tartaric acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O.C4H6O6/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18;5-1(3(7)8)2(6)4(9)10/h2-11,19,23H,12-16H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)