N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(2-azanylcyclohexyl)-3-fluoranyl-benzamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(2-azanylcyclohexyl)-3-fluoranyl-benzamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(2-aminocyclohexyl)-3-fluoro-benzamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(2-aminocyclohexyl)-3-fluorobenzamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(2-aminocyclohexyl)-3-fluorobenzamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(2-aminocyclohexyl)-3-fluoro-benzamide Formula: C22H25ClFN3O2 MolecularWeight: 417.904203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H25ClFN3O2/c1-14(28)26-18-9-10-19(23)16(12-18)13-27(21-8-3-2-7-20(21)25)22(29)15-5-4-6-17(24)11-15/h4-6,9-12,20-21H,2-3,7-8,13,25H2,1H3,(H,26,28)