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

Systemtic Name: 3-[2-oxidanylidene-3-[(2R,3S)-3-phenylmethoxypyrrolidin-2-yl]propyl]-5-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[3-[(2R,3S)-3-benzyloxypyrrolidin-2-yl]-2-oxo-propyl]-5-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-oxo-3-[(2R,3S)-3-phenylmethoxy-2-pyrrolidinyl]propyl]-5-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-oxo-3-[(2R,3S)-3-phenylmethoxypyrrolidin-2-yl]propyl]-5-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[3-[(2R,3S)-3-benzoxypyrrolidin-2-yl]-2-keto-propyl]-5-(trifluoromethyl)quinazolin-4-one Formula: C23H22F3N3O3 MolecularWeight: 445.43429

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1OCC2=CC=CC=C2)CC(=O)CN3C=NC4=CC=CC(=C4C3=O)C(F)(F)F

Isomeric SMILES

C1CN[C@@H]([C@H]1OCC2=CC=CC=C2)CC(=O)CN3C=NC4=CC=CC(=C4C3=O)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O3/c24-23(25,26)17-7-4-8-18-21(17)22(31)29(14-28-18)12-16(30)11-19-20(9-10-27-19)32-13-15-5-2-1-3-6-15/h1-8,14,19-20,27H,9-13H2/t19-,20+/m1/s1