3-fluoranyl-4-[4-methyl-6-(3-methylbutyl)-2-(2-oxidanylidenepiperidin-1-yl)pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-methyl-6-(3-methylbutyl)-2-(2-oxidanylidenepiperidin-1-yl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-isopentyl-6-methyl-2-(2-oxo-1-piperidyl)pyrimidin-5-yl]benzonitrile CAS Name: 3-fluoro-4-[4-methyl-6-(3-methylbutyl)-2-(2-oxo-1-piperidinyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-methyl-6-(3-methylbutyl)-2-(2-oxopiperidin-1-yl)pyrimidin-5-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-isoamyl-2-(2-ketopiperidino)-6-methyl-pyrimidin-5-yl]benzonitrile Formula: C22H25FN4O MolecularWeight: 380.458503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCCCC2=O)CCC(C)C)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCCCC2=O)CCC(C)C)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C22H25FN4O/c1-14(2)7-10-19-21(17-9-8-16(13-24)12-18(17)23)15(3)25-22(26-19)27-11-5-4-6-20(27)28/h8-9,12,14H,4-7,10-11H2,1-3H3