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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-1,4-diazepane-1-carboxamide Formula: C13H16ClF3N4O MolecularWeight: 336.74055

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H16ClF3N4O/c1-18-12(22)21-4-2-3-20(5-6-21)11-10(14)7-9(8-19-11)13(15,16)17/h7-8H,2-6H2,1H3,(H,18,22)