3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]-5-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]-5-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]-5-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-5-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-5-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-keto-propyl]-5-(trifluoromethyl)quinazolin-4-one Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC(=C3C2=O)C(F)(F)F)O

Isomeric SMILES

C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC=CC(=C3C2=O)C(F)(F)F)O

InChI

InChI=1S/C17H18F3N3O3/c18-17(19,20)11-3-1-4-12-15(11)16(26)23(9-22-12)8-10(24)7-13-14(25)5-2-6-21-13/h1,3-4,9,13-14,21,25H,2,5-8H2/t13-,14+/m1/s1