(4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(2,4-dimethylphenyl)-6-methylene-2-oxo-N-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(2,4-dimethylphenyl)-6-methylene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(2,4-dimethylphenyl)-2-keto-6-methylene-N-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxamide Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C21H20F3N3O2/c1-11-8-9-14(12(2)10-11)18-17(13(3)25-20(29)27-18)19(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10,17-18H,3H2,1-2H3,(H,26,28)(H2,25,27,29)/t17-,18+/m0/s1