2-methyl-5-[[4-(phenylmethyl)phenyl]amino]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[[4-(phenylmethyl)phenyl]amino]pyrazole-3-carboxylic acid Openeye Name: 5-(4-benzylanilino)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[4-(phenylmethyl)anilino]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-benzylanilino)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-benzylanilino)-2-methyl-pyrazole-3-carboxylic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)NC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)NC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O2/c1-21-16(18(22)23)12-17(20-21)19-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20)(H,22,23)