3-(2-chloranyl-6-fluoranyl-phenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-isoxazoline-5-carboxamide Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN4O3/c1-12-19(21(29)27(26(12)2)13-7-4-3-5-8-13)24-20(28)17-11-16(25-30-17)18-14(22)9-6-10-15(18)23/h3-10,17H,11H2,1-2H3,(H,24,28)