methyl 1-ethanoyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-ethanoyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-acetyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-acetyl-7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-acetyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C24H26N2O4/c1-17(27)26-10-9-20(24(28)29-2)16-21-15-19(5-8-23(21)26)18-3-6-22(7-4-18)25-11-13-30-14-12-25/h3-8,15-16H,9-14H2,1-2H3