1-[[3-[(3R)-1-ethanoylpiperidin-3-yl]oxy-5-fluoranyl-phenyl]methyl]-1-(6-ethynylpyridin-3-yl)urea

Systemtic Name: 1-[[3-[(3R)-1-ethanoylpiperidin-3-yl]oxy-5-fluoranyl-phenyl]methyl]-1-(6-ethynylpyridin-3-yl)urea Openeye Name: 1-[[3-[[(3R)-1-acetyl-3-piperidyl]oxy]-5-fluoro-phenyl]methyl]-1-(6-ethynyl-3-pyridyl)urea CAS Name: 1-[[3-[[(3R)-1-acetyl-3-piperidinyl]oxy]-5-fluorophenyl]methyl]-1-(6-ethynyl-3-pyridinyl)urea IUPAC Name: 1-[[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]methyl]-1-(6-ethynylpyridin-3-yl)urea Traditional Name: 1-[3-[[(3R)-1-acetyl-3-piperidyl]oxy]-5-fluoro-benzyl]-1-(6-ethynyl-3-pyridyl)urea Formula: C22H23FN4O3 MolecularWeight: 410.441423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)OC2=CC(=CC(=C2)CN(C3=CN=C(C=C3)C#C)C(=O)N)F

Isomeric SMILES

CC(=O)N1CCC[C@H](C1)OC2=CC(=CC(=C2)CN(C3=CN=C(C=C3)C#C)C(=O)N)F

InChI

InChI=1S/C22H23FN4O3/c1-3-18-6-7-19(12-25-18)27(22(24)29)13-16-9-17(23)11-21(10-16)30-20-5-4-8-26(14-20)15(2)28/h1,6-7,9-12,20H,4-5,8,13-14H2,2H3,(H2,24,29)/t20-/m1/s1