1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(3-pyridylmethyl)-4-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one CAS Name: 1-(3-pyridinylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Traditional Name: 1-(3-pyridylmethyl)-4-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one Formula: C18H19F3N4O MolecularWeight: 364.36487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CN=C(C=C2)C(F)(F)F)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CN=C(C=C2)C(F)(F)F)CC3=CN=CC=C3

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)16-4-3-15(11-23-16)13-25-9-8-24(7-5-17(25)26)12-14-2-1-6-22-10-14/h1-4,6,10-11H,5,7-9,12-13H2