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3-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-7-(trifluoromethyl)quinazolin-4-one
3-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-7-(trifluoromethyl)quinazolin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
C1CCN(C(C1)CO)CCCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F
Isomeric SMILES
C1CCN(C(C1)CO)CCCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H22F3N3O2/c19-18(20,21)13-5-6-15-16(10-13)22-12-24(17(15)26)9-3-8-23-7-2-1-4-14(23)11-25/h5-6,10,12,14,25H,1-4,7-9,11H2
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