methyl 3-ethyl-4-(2-methoxyphenyl)-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate

Systemtic Name: methyl 3-ethyl-4-(2-methoxyphenyl)-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-ethyl-4-(2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 3-ethyl-4-(2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-(2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-ethyl-2-keto-4-(2-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C22H22F3NO4 MolecularWeight: 421.40959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CC2=C(C=CC=C2NC1=O)C(F)(F)F)C3=CC=CC=C3OC)C(=O)OC

Isomeric SMILES

CCC1(C(CC2=C(C=CC=C2NC1=O)C(F)(F)F)C3=CC=CC=C3OC)C(=O)OC

InChI

InChI=1S/C22H22F3NO4/c1-4-21(20(28)30-3)16(13-8-5-6-11-18(13)29-2)12-14-15(22(23,24)25)9-7-10-17(14)26-19(21)27/h5-11,16H,4,12H2,1-3H3,(H,26,27)