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

Systemtic Name: methyl 4-(2-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-4-(2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-2-keto-4-(2-methoxyphenyl)-6-(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=C3NC(=O)C2(CC=C)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2CC3=C(C=CC=C3NC(=O)C2(CC=C)C(=O)OC)C(F)(F)F

InChI

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