methyl 3-[[4-(2-ethanoylphenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(2-ethanoylphenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(2-acetylbenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[(2-acetylphenyl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-acetylbenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2-acetylbenzoyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O5/c1-16(26)19-8-3-4-9-20(19)22(28)24-11-10-21(27)25(13-12-24)15-17-6-5-7-18(14-17)23(29)30-2/h3-9,14H,10-13,15H2,1-2H3