2-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C14H19F3N4O MolecularWeight: 316.32207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN(CC1)C2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)N1CCCN(CC1)C2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C14H19F3N4O/c1-10(2)12(22)20-6-3-7-21(9-8-20)13-18-5-4-11(19-13)14(15,16)17/h4-5,10H,3,6-9H2,1-2H3