4-[(1-methylimidazol-2-yl)methyl]-N-[2,3,4-tris(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[2,3,4-tris(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide Formula: C17H20F3N5O MolecularWeight: 367.36881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C17H20F3N5O/c1-23-8-5-21-14(23)11-24-6-2-7-25(10-9-24)17(26)22-13-4-3-12(18)15(19)16(13)20/h3-5,8H,2,6-7,9-11H2,1H3,(H,22,26)