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

Systemtic Name: N-(2-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C18H18F4N4O MolecularWeight: 382.355333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2F)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2F)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F4N4O/c19-14-4-1-2-5-15(14)24-17(27)26-9-3-8-25(10-11-26)16-7-6-13(12-23-16)18(20,21)22/h1-2,4-7,12H,3,8-11H2,(H,24,27)