4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(2-ethyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(2-ethyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(2-ethyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-ethyl-6-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(2-ethyl-6-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(2-ethyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C21H24ClF3N4O MolecularWeight: 440.88967

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

InChI

InChI=1S/C21H24ClF3N4O/c1-3-15-7-4-6-14(2)18(15)27-20(30)29-9-5-8-28(10-11-29)19-17(22)12-16(13-26-19)21(23,24)25/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,27,30)