4-(3-azanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dimethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3-azanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dimethylphenyl)-4-oxobutanamide IUPAC Name: 4-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dimethylphenyl)-4-oxobutanamide Traditional Name: 4-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-yl)-N-(3,4-dimethylphenyl)-4-keto-butyramide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N)C

InChI

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