1-[4-[bis(fluoranyl)methyl]-6-(4-methylphenyl)pyrimidin-2-yl]azepane

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(4-methylphenyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(difluoromethyl)-6-(p-tolyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(difluoromethyl)-6-(4-methylphenyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(difluoromethyl)-6-(p-tolyl)pyrimidin-2-yl]azepane Formula: C18H21F2N3 MolecularWeight: 317.376246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCCCC3)C(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCCCC3)C(F)F

InChI

InChI=1S/C18H21F2N3/c1-13-6-8-14(9-7-13)15-12-16(17(19)20)22-18(21-15)23-10-4-2-3-5-11-23/h6-9,12,17H,2-5,10-11H2,1H3