1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

Systemtic Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Formula: C18H20F3N3O MolecularWeight: 351.36611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O/c1-25-15-9-5-4-8-13(15)14-12-16(18(19,20)21)23-17(22-14)24-10-6-2-3-7-11-24/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3