4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]butyrate Formula: C21H20N3O3- MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H21N3O3/c1-14-8-10-17(11-9-14)24-21(22-18(25)12-13-19(26)27)20(15(2)23-24)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,26,27)/p-1