methyl 3-[[4-[(2-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 3-[[4-[(2-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 3-[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 3-[4-(2-fluorobenzyl)-5-keto-1,4-diazepane-1-carbonyl]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)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

InChI

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