3-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethyl]quinazolin-4-one Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)14-5-6-17(24-11-14)26-7-9-27(10-8-26)18(29)12-28-13-25-16-4-2-1-3-15(16)19(28)30/h1-6,11,13H,7-10,12H2