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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-heptan-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(1-methylhexyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-heptan-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-heptan-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(1-methylhexyl)-1,4-diazepane-1-carboxamide Formula: C19H28ClF3N4O MolecularWeight: 420.90003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCCCCC(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C19H28ClF3N4O/c1-3-4-5-7-14(2)25-18(28)27-9-6-8-26(10-11-27)17-16(20)12-15(13-24-17)19(21,22)23/h12-14H,3-11H2,1-2H3,(H,25,28)