4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one; 2-oxidanylbutanedioic acid

Systemtic Name: 4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one; 2-oxidanylbutanedioic acid Openeye Name: 4-ethyl-2-(1-methyl-4-piperidyl)-5-phenyl-1H-pyrazol-3-one; 2-hydroxybutanedioic acid CAS Name: 4-ethyl-2-(1-methyl-4-piperidinyl)-5-phenyl-1H-pyrazol-3-one; 2-hydroxybutanedioic acid IUPAC Name: 4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one; 2-hydroxybutanedioic acid Traditional Name: 4-ethyl-2-(1-methyl-4-piperidyl)-5-phenyl-3-pyrazolin-3-one; malic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H23N3O.C4H6O5/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14;5-2(4(8)9)1-3(6)7/h4-8,14,18H,3,9-12H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)