N-(4-butyl-2-methyl-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C23H28ClF3N4O MolecularWeight: 468.94283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

InChI

InChI=1S/C23H28ClF3N4O/c1-3-4-6-17-7-8-20(16(2)13-17)29-22(32)31-10-5-9-30(11-12-31)21-19(24)14-18(15-28-21)23(25,26)27/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,29,32)