N-(4-chlorophenyl)-2-[[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]-methyl-amino]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]-methyl-amino]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[[1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]-methyl-amino]acetamide CAS Name: N-(4-chlorophenyl)-2-[[1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]-methylamino]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]-methylamino]acetamide Traditional Name: N-(4-chlorophenyl)-2-[[1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]-methyl-amino]acetamide Formula: C22H23ClFN3O3 MolecularWeight: 431.887723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)Cl)C2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)Cl)C2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFN3O3/c1-26(14-20(28)25-18-11-7-16(23)8-12-18)19-4-2-3-13-27(22(19)30)21(29)15-5-9-17(24)10-6-15/h5-12,19H,2-4,13-14H2,1H3,(H,25,28)