N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine; ethanedioic acid

Systemtic Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine; ethanedioic acid Openeye Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid CAS Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]methyl]-2-propyn-1-amine; oxalic acid IUPAC Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid Traditional Name: [1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]methyl-propargyl-amine; oxalic acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C#CCNCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H18ClN3.C2H2O4/c1-2-12-22-13-18-15-24(14-17-10-6-7-11-19(17)21)23-20(18)16-8-4-3-5-9-16;3-1(4)2(5)6/h1,3-11,15,22H,12-14H2;(H,3,4)(H,5,6)