4-(pyridin-2-ylmethyl)-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one

Systemtic Name: 4-(pyridin-2-ylmethyl)-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Openeye Name: 4-(2-pyridylmethyl)-1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one CAS Name: 4-(2-pyridinylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-(pyridin-2-ylmethyl)-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Traditional Name: 4-(2-pyridylmethyl)-1-[[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=CC=CC=N2)CC3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=N2)CC3=CN=C(C=C3)C(F)(F)F

InChI

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