2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-oxidanyl-ethanamide

Systemtic Name: 2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-oxidanyl-ethanamide Openeye Name: 2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanehydroxamic acid CAS Name: 2-[6-(1-azepanyl)-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-N-hydroxyacetamide IUPAC Name: 2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-hydroxyacetamide Traditional Name: 2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanehydroxamic acid Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O2/c20-19(21,22)14-7-5-6-13(10-14)18-23-15(12-17(27)25-28)11-16(24-18)26-8-3-1-2-4-9-26/h5-7,10-11,28H,1-4,8-9,12H2,(H,25,27)