3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-[4-(isovalerylamino)phenyl]-5-methyl-isoxazole-4-carboxamide Formula: C22H21ClFN3O3 MolecularWeight: 429.871843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C22H21ClFN3O3/c1-12(2)11-18(28)25-14-7-9-15(10-8-14)26-22(29)19-13(3)30-27-21(19)20-16(23)5-4-6-17(20)24/h4-10,12H,11H2,1-3H3,(H,25,28)(H,26,29)