4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-butanamide CAS Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxobutanamide IUPAC Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxobutanamide Traditional Name: 4-(4-bromophenyl)-4-keto-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3/c1-14-20(21(28)25(24(14)2)17-6-4-3-5-7-17)23-19(27)13-12-18(26)15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,27)