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

Systemtic Name: methyl 7-chloranyl-4-(4-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-7-chloro-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 7-chloro-4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-7-chloro-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)Cl)NC(=O)C2(CC=C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)Cl)NC(=O)C2(CC=C)C(=O)OC

InChI

InChI=1S/C22H22ClNO4/c1-4-11-22(21(26)28-3)18(14-5-8-17(27-2)9-6-14)13-15-12-16(23)7-10-19(15)24-20(22)25/h4-10,12,18H,1,11,13H2,2-3H3,(H,24,25)