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

Systemtic Name: 4-(phenylmethyl)-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Openeye Name: 4-benzyl-1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one CAS Name: 4-(phenylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-benzyl-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Traditional Name: 4-benzyl-1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one Formula: C19H20F3N3O MolecularWeight: 363.37681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O/c20-19(21,22)17-7-6-16(12-23-17)13-24-9-8-18(26)25(11-10-24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2