methyl 6-azanyl-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C16H14F3N3O2 MolecularWeight: 337.29647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O2/c1-8-12(15(23)24-2)13(11(7-20)14(21)22-8)9-3-5-10(6-4-9)16(17,18)19/h3-6,13,22H,21H2,1-2H3