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

Systemtic Name: methyl 7-chloranyl-3-ethyl-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 7-chloro-3-ethyl-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 7-chloro-3-ethyl-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-ethyl-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 7-chloro-3-ethyl-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CC2=C(C=CC(=C2)Cl)NC1=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CCC1(C(CC2=C(C=CC(=C2)Cl)NC1=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H22ClNO4/c1-4-21(20(25)27-3)17(13-5-8-16(26-2)9-6-13)12-14-11-15(22)7-10-18(14)23-19(21)24/h5-11,17H,4,12H2,1-3H3,(H,23,24)