N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C19H20F4N4O MolecularWeight: 396.381913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CC=N3

InChI

InChI=1S/C19H20F4N4O/c20-17-6-5-14(12-16(17)19(21,22)23)25-18(28)27-9-3-8-26(10-11-27)13-15-4-1-2-7-24-15/h1-2,4-7,12H,3,8-11,13H2,(H,25,28)