ethanedioic acid; N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine Openeye Name: oxalic acid; N-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]butan-1-amine CAS Name: N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-butanamine; oxalic acid IUPAC Name: N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine; oxalic acid Traditional Name: butyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(NN=C1)C2=CC=C(C=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCC1=C(NN=C1)C2=CC=C(C=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3.C2H2O4/c1-3-4-9-16-10-14-11-17-18-15(14)13-7-5-12(2)6-8-13;3-1(4)2(5)6/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,18);(H,3,4)(H,5,6)