3-[[5-(trifluoromethyl)pyridin-2-yl]amino]azepan-2-one

Systemtic Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]amino]azepan-2-one Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]amino]azepan-2-one CAS Name: 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azepanone IUPAC Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]amino]azepan-2-one Traditional Name: 3-[[5-(trifluoromethyl)-2-pyridyl]amino]azepan-2-one Formula: C12H14F3N3O MolecularWeight: 273.25427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H14F3N3O/c13-12(14,15)8-4-5-10(17-7-8)18-9-3-1-2-6-16-11(9)19/h4-5,7,9H,1-3,6H2,(H,16,19)(H,17,18)