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

Systemtic Name: methyl 2-[[4-[(2-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 2-[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carbonyl]benzoate CAS Name: 2-[[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 2-[4-(2-fluorobenzyl)-5-keto-1,4-diazepane-1-carbonyl]benzoic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

InChI

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