N-[3-cyano-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-2-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-2-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(3-pyridylmethyl)pyrrol-2-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(3-pyridinylmethyl)-2-pyrrolyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-2-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(3-pyridylmethyl)pyrrol-2-yl]-4-(trifluoromethyl)benzamide Formula: C21H17F3N4O MolecularWeight: 398.38109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CN=CC=C3)C

InChI

InChI=1S/C21H17F3N4O/c1-13-14(2)28(12-15-4-3-9-26-11-15)19(18(13)10-25)27-20(29)16-5-7-17(8-6-16)21(22,23)24/h3-9,11H,12H2,1-2H3,(H,27,29)