1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one Openeye Name: 1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-5-one CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-5-one Formula: C11H12F3N3O MolecularWeight: 259.22769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCNC1=O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H12F3N3O/c12-11(13,14)8-1-2-9(16-7-8)17-5-3-10(18)15-4-6-17/h1-2,7H,3-6H2,(H,15,18)