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

Systemtic Name: ethanedioic acid; N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid CAS Name: N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-propyn-1-amine; oxalic acid IUPAC Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-propargyl-amine; oxalic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3O.C2H2O4/c1-3-12-22-14-19-16-24(15-17-8-5-4-6-9-17)23-21(19)18-10-7-11-20(13-18)25-2;3-1(4)2(5)6/h1,4-11,13,16,22H,12,14-15H2,2H3;(H,3,4)(H,5,6)