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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-15-10-12-17(13-11-15)24-19(22-20(25)8-5-9-21(26)27)14-18(23-24)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,25)(H,26,27)/p-1