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

Systemtic Name: 3-(3-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-isoxazoline-5-carboxamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c1-13-19(21(28)26(25(13)2)16-9-4-3-5-10-16)23-20(27)18-12-17(24-29-18)14-7-6-8-15(22)11-14/h3-11,18H,12H2,1-2H3,(H,23,27)