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

Systemtic Name: 2-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propyl]-1H-quinazolin-4-one CAS Name: 2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propyl]-1H-quinazolin-4-one Formula: C21H20F3N5O2 MolecularWeight: 431.41101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20F3N5O2/c22-21(23,24)14-5-7-18(25-13-14)28-9-11-29(12-10-28)19(30)8-6-17-26-16-4-2-1-3-15(16)20(31)27-17/h1-5,7,13H,6,8-12H2,(H,26,27,31)