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

Systemtic Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Formula: C17H17F4N3 MolecularWeight: 339.330593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17F4N3/c18-13-7-5-12(6-8-13)14-11-15(17(19,20)21)23-16(22-14)24-9-3-1-2-4-10-24/h5-8,11H,1-4,9-10H2