(4-methoxycarbonylphenyl) 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-[2-(4-fluoroanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-[2-(4-fluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O5/c1-30-21(28)16-3-9-19(10-4-16)31-22(29)26-12-2-11-25(13-14-26)15-20(27)24-18-7-5-17(23)6-8-18/h3-10H,2,11-15H2,1H3,(H,24,27)