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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C20H18F3NO4 MolecularWeight: 393.35643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3NC(=O)C2C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3NC(=O)C2C(=O)OC)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4/c1-27-12-8-6-11(7-9-12)13-10-14-15(20(21,22)23)4-3-5-16(14)24-18(25)17(13)19(26)28-2/h3-9,13,17H,10H2,1-2H3,(H,24,25)