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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C19H17ClF6N4O MolecularWeight: 466.807899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF6N4O/c20-15-10-13(19(24,25)26)11-27-16(15)29-6-1-7-30(9-8-29)17(31)28-14-4-2-12(3-5-14)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,28,31)