4-[5-chloranyl-4-[1-(5-cyclopropylpyrimidin-2-yl)-3-methyl-piperidin-4-yl]oxy-2-oxidanylidene-pyridin-1-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[5-chloranyl-4-[1-(5-cyclopropylpyrimidin-2-yl)-3-methyl-piperidin-4-yl]oxy-2-oxidanylidene-pyridin-1-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-chloro-4-[[1-(5-cyclopropylpyrimidin-2-yl)-3-methyl-4-piperidyl]oxy]-2-oxo-1-pyridyl]-2-fluoro-benzonitrile CAS Name: 4-[5-chloro-4-[[1-(5-cyclopropyl-2-pyrimidinyl)-3-methyl-4-piperidinyl]oxy]-2-oxo-1-pyridinyl]-2-fluorobenzonitrile IUPAC Name: 4-[5-chloro-4-[1-(5-cyclopropylpyrimidin-2-yl)-3-methylpiperidin-4-yl]oxy-2-oxopyridin-1-yl]-2-fluorobenzonitrile Traditional Name: 4-[5-chloro-4-[[1-(5-cyclopropylpyrimidin-2-yl)-3-methyl-4-piperidyl]oxy]-2-keto-1-pyridyl]-2-fluoro-benzonitrile Formula: C25H23ClFN5O2 MolecularWeight: 479.933823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1OC2=CC(=O)N(C=C2Cl)C3=CC(=C(C=C3)C#N)F)C4=NC=C(C=N4)C5CC5

Isomeric SMILES

CC1CN(CCC1OC2=CC(=O)N(C=C2Cl)C3=CC(=C(C=C3)C#N)F)C4=NC=C(C=N4)C5CC5

InChI

InChI=1S/C25H23ClFN5O2/c1-15-13-31(25-29-11-18(12-30-25)16-2-3-16)7-6-22(15)34-23-9-24(33)32(14-20(23)26)19-5-4-17(10-28)21(27)8-19/h4-5,8-9,11-12,14-16,22H,2-3,6-7,13H2,1H3