4-tert-butyl-N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide CAS Name: 4-tert-butyl-N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]benzamide Formula: C18H18F3N3O2 MolecularWeight: 365.34963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N

InChI

InChI=1S/C18H18F3N3O2/c1-10-13(9-22)17(15(26)23-10,18(19,20)21)24-14(25)11-5-7-12(8-6-11)16(2,3)4/h5-8H,1-4H3,(H,23,26)(H,24,25)/t17-/m0/s1