2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-piperonylpiperazino)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C17H17F3N4O3 MolecularWeight: 382.33709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O3/c18-17(19,20)14-8-15(25)22-16(21-14)24-5-3-23(4-6-24)9-11-1-2-12-13(7-11)27-10-26-12/h1-2,7-8H,3-6,9-10H2,(H,21,22,25)