N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenyl-ethanamine; ethanedioic acid

Systemtic Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenyl-ethanamine; oxalic acid CAS Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine; oxalic acid IUPAC Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine; oxalic acid Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(1-phenylethyl)amine; oxalic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=C(NN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=C(NN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18ClN3.C2H2O4/c1-13(14-5-3-2-4-6-14)20-11-16-12-21-22-18(16)15-7-9-17(19)10-8-15;3-1(4)2(5)6/h2-10,12-13,20H,11H2,1H3,(H,21,22);(H,3,4)(H,5,6)