4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[2,3,4-tris(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[2,3,4-tris(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide Formula: C22H25F3N4O2 MolecularWeight: 434.45471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C22H25F3N4O2/c1-14-5-3-6-15(2)21(14)27-18(30)13-28-9-4-10-29(12-11-28)22(31)26-17-8-7-16(23)19(24)20(17)25/h3,5-8H,4,9-13H2,1-2H3,(H,26,31)(H,27,30)