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

Systemtic Name: methyl 3-[[4-(3-fluorophenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(3-fluorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[(3-fluorophenyl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-fluorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[4-(3-fluorobenzoyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-28-21(27)17-6-2-4-15(12-17)14-24-11-10-23(9-8-19(24)25)20(26)16-5-3-7-18(22)13-16/h2-7,12-13H,8-11,14H2,1H3