methyl 4-(2-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate

Systemtic Name: methyl 4-(2-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-4-(2-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-2-keto-4-(2-methoxyphenyl)-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C23H22F3NO4 MolecularWeight: 433.42029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC3=C(C=CC(=C3)C(F)(F)F)NC(=O)C2(CC=C)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2CC3=C(C=CC(=C3)C(F)(F)F)NC(=O)C2(CC=C)C(=O)OC

InChI

InChI=1S/C23H22F3NO4/c1-4-11-22(21(29)31-3)17(16-7-5-6-8-19(16)30-2)13-14-12-15(23(24,25)26)9-10-18(14)27-20(22)28/h4-10,12,17H,1,11,13H2,2-3H3,(H,27,28)