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

Systemtic Name: 3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpyrrolidin-2-yl]propyl]-5-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[3-[(2R,3S)-3-hydroxypyrrolidin-2-yl]-2-oxo-propyl]-5-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[3-[(2R,3S)-3-hydroxy-2-pyrrolidinyl]-2-oxopropyl]-5-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[3-[(2R,3S)-3-hydroxypyrrolidin-2-yl]-2-oxopropyl]-5-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[3-[(2R,3S)-3-hydroxypyrrolidin-2-yl]-2-keto-propyl]-5-(trifluoromethyl)quinazolin-4-one Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1O)CC(=O)CN2C=NC3=CC=CC(=C3C2=O)C(F)(F)F

Isomeric SMILES

C1CN[C@@H]([C@H]1O)CC(=O)CN2C=NC3=CC=CC(=C3C2=O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O3/c17-16(18,19)10-2-1-3-11-14(10)15(25)22(8-21-11)7-9(23)6-12-13(24)4-5-20-12/h1-3,8,12-13,20,24H,4-7H2/t12-,13+/m1/s1