2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]phthalazin-1-one Formula: C19H18F3N5O MolecularWeight: 389.37433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H18F3N5O/c20-19(21,22)15-5-6-17(23-12-15)26-9-7-25(8-10-26)13-27-18(28)16-4-2-1-3-14(16)11-24-27/h1-6,11-12H,7-10,13H2