1-[(3-chlorophenyl)methyl]-4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidine; ethanedioic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidine; ethanedioic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidine; oxalic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-(3-methyl-4-phenyl-1-pyrazolyl)piperidine; oxalic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine; oxalic acid Traditional Name: 1-(3-chlorobenzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)piperidine; oxalic acid Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3.C2H2O4/c1-17-22(19-7-3-2-4-8-19)16-26(24-17)21-10-12-25(13-11-21)15-18-6-5-9-20(23)14-18;3-1(4)2(5)6/h2-9,14,16,21H,10-13,15H2,1H3;(H,3,4)(H,5,6)