5-[[(4-ethylphenyl)amino]methyl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[(4-ethylphenyl)amino]methyl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-ethylanilino)methyl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-ethylanilino)methyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-ethylanilino)methyl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-ethylanilino)methyl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NCC2=C(C=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NCC2=C(C=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H19N3O2/c1-2-14-8-10-15(11-9-14)20-13-18-17(19(23)24)12-21-22(18)16-6-4-3-5-7-16/h3-12,20H,2,13H2,1H3,(H,23,24)