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

Systemtic Name: ethanedioic acid; N-[[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid CAS Name: N-[[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-propyn-1-amine; oxalic acid IUPAC Name: N-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine; oxalic acid Traditional Name: [1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyl-propargyl-amine; oxalic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3.C2H2O4/c1-3-12-22-14-20-16-24(15-18-9-5-4-6-10-18)23-21(20)19-11-7-8-17(2)13-19;3-1(4)2(5)6/h1,4-11,13,16,22H,12,14-15H2,2H3;(H,3,4)(H,5,6)