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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-2-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-2-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-2-piperazinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-2-one Traditional Name: 1-piperonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-2-one Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=NC=C(C=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=O)CN1C2=NC=C(C=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)13-2-4-16(22-8-13)23-5-6-24(17(25)10-23)9-12-1-3-14-15(7-12)27-11-26-14/h1-4,7-8H,5-6,9-11H2