1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Formula: C18H18F3N3O2 MolecularWeight: 365.34963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)16-10-13(12-5-6-14-15(9-12)26-11-25-14)22-17(23-16)24-7-3-1-2-4-8-24/h5-6,9-10H,1-4,7-8,11H2