1-(1,3-benzodioxol-5-ylmethyl)-5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-one Traditional Name: 5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-piperonyl-pyrimidin-4-one Formula: C18H11ClF3N3O3 MolecularWeight: 409.74645

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=C(C(=O)N=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=C(C(=O)N=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF3N3O3/c19-13-4-11(18(20,21)22)5-23-16(13)12-7-25(8-24-17(12)26)6-10-1-2-14-15(3-10)28-9-27-14/h1-5,7-8H,6,9H2