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

Systemtic Name: 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoxazole-3-carboxamide Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27)