2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-N-methyl-N-phenyl-acetamide Formula: C20H22ClF3N4O MolecularWeight: 426.86309

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H22ClF3N4O/c1-26(16-6-3-2-4-7-16)18(29)14-27-8-5-9-28(11-10-27)19-17(21)12-15(13-25-19)20(22,23)24/h2-4,6-7,12-13H,5,8-11,14H2,1H3