methyl 4-(4-methoxyphenyl)-2-oxidanylidene-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-oxidanylidene-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C20H18F3NO4 MolecularWeight: 393.35643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(F)(F)F)NC(=O)C2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(F)(F)F)NC(=O)C2C(=O)OC

InChI

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