2-[4-[[3,3-bis(fluoranyl)piperidin-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[3,3-bis(fluoranyl)piperidin-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3,3-difluoro-1-piperidyl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(3,3-difluoro-1-piperidinyl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3,3-difluoropiperidino)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C17H19F2N3O MolecularWeight: 319.349066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCC(C3)(F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCC(C3)(F)F

InChI

InChI=1S/C17H19F2N3O/c1-12-9-15(23)21-16(20-12)14-5-3-13(4-6-14)10-22-8-2-7-17(18,19)11-22/h3-6,9H,2,7-8,10-11H2,1H3,(H,20,21,23)