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

Systemtic Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanyl-2-oxidanylidene-but-3-enamide Openeye Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-hydroxy-2-oxo-but-3-enamide CAS Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-hydroxy-2-oxo-3-butenamide IUPAC Name: 4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxobut-3-enamide Traditional Name: 4-(4-bromophenyl)-4-hydroxy-2-keto-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)but-3-enamide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4/c1-13-19(21(29)25(24(13)2)16-6-4-3-5-7-16)23-20(28)18(27)12-17(26)14-8-10-15(22)11-9-14/h3-12,26H,1-2H3,(H,23,28)