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

Systemtic Name: methyl 4-(2-methoxyphenyl)-3-methyl-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 4-(2-methoxyphenyl)-3-methyl-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 2-keto-4-(2-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(C=CC=C2NC1=O)C(F)(F)F)C3=CC=CC=C3OC)C(=O)OC

Isomeric SMILES

CC1(C(CC2=C(C=CC=C2NC1=O)C(F)(F)F)C3=CC=CC=C3OC)C(=O)OC

InChI

InChI=1S/C21H20F3NO4/c1-20(19(27)29-3)15(12-7-4-5-10-17(12)28-2)11-13-14(21(22,23)24)8-6-9-16(13)25-18(20)26/h4-10,15H,11H2,1-3H3,(H,25,26)