ethanedioic acid; 3-[[4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 3-[[4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-methyl-4-phenyl-pyrazol-1-yl)-1-piperidyl]methyl]benzonitrile; oxalic acid CAS Name: 3-[[4-(3-methyl-4-phenyl-1-pyrazolyl)-1-piperidinyl]methyl]benzonitrile; oxalic acid IUPAC Name: 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile; oxalic acid Traditional Name: 3-[[4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidino]methyl]benzonitrile; oxalic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C=C1C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N4.C2H2O4/c1-18-23(21-8-3-2-4-9-21)17-27(25-18)22-10-12-26(13-11-22)16-20-7-5-6-19(14-20)15-24;3-1(4)2(5)6/h2-9,14,17,22H,10-13,16H2,1H3;(H,3,4)(H,5,6)