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

Systemtic Name: 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one CAS Name: 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one Traditional Name: 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)-3-pyridyl]methyl]-1,4-diazepan-5-one Formula: C20H22F3N3O2 MolecularWeight: 393.40279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CN=C(C=C2)C(F)(F)F)CCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CN=C(C=C2)C(F)(F)F)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3O2/c21-20(22,23)18-7-6-16(14-24-18)15-26-11-10-25(9-8-19(26)27)12-13-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2