4-(3-methylbutanoylamino)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide

Systemtic Name: 4-(3-methylbutanoylamino)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide Openeye Name: 4-(3-methylbutanoylamino)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide IUPAC Name: 4-(3-methylbutanoylamino)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide Traditional Name: 4-(isovalerylamino)-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(2)12-19(26)22-16-10-8-15(9-11-16)21(28)23-18-13-20(27)25(24-18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,24,28)