2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-[(E)-2-(4-fluorophenyl)vinyl]-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-[(E)-2-(4-fluorophenyl)vinyl]-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C25H24FN5O MolecularWeight: 429.489363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C=CC4=CC=C(C=C4)F)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)/C=C/C4=CC=C(C=C4)F)N

InChI

InChI=1S/C25H24FN5O/c26-22-11-8-18(9-12-22)7-10-20-15-29-25(30-13-3-6-23(28)17-30)31(24(20)32)16-21-5-2-1-4-19(21)14-27/h1-2,4-5,7-12,15,23H,3,6,13,16-17,28H2/b10-7+/t23-/m1/s1