N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]pyridine-4-carboxamide Openeye Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]pyridine-4-carboxamide CAS Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-4-pyridinecarboxamide IUPAC Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]pyridine-4-carboxamide Traditional Name: N-[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]isonicotinamide Formula: C13H9F3N4O2 MolecularWeight: 310.23137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3N4O2/c1-7-9(6-17)12(11(22)19-7,13(14,15)16)20-10(21)8-2-4-18-5-3-8/h2-5H,1H3,(H,19,22)(H,20,21)/t12-/m0/s1