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

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine; ethanedioic acid Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H20ClN3.C2H2O4/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22;3-1(4)2(5)6/h1-14,17,25H,15-16H2;(H,3,4)(H,5,6)