N-[(4-acetamidophenyl)methyl]-N-(2-azanylcyclohexyl)-3,5-bis(fluoranyl)benzamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-N-(2-azanylcyclohexyl)-3,5-bis(fluoranyl)benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)-3,5-difluoro-benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)-3,5-difluorobenzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)-3,5-difluorobenzamide Traditional Name: N-(4-acetamidobenzyl)-N-(2-aminocyclohexyl)-3,5-difluoro-benzamide Formula: C22H25F2N3O2 MolecularWeight: 401.449606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2N3O2/c1-14(28)26-19-8-6-15(7-9-19)13-27(21-5-3-2-4-20(21)25)22(29)16-10-17(23)12-18(24)11-16/h6-12,20-21H,2-5,13,25H2,1H3,(H,26,28)