methyl 2-[4-[[(5-cyanopyridin-2-yl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[4-[[(5-cyanopyridin-2-yl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(5-cyano-2-pyridyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[(5-cyano-2-pyridinyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(5-cyanopyridin-2-yl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(5-cyano-2-pyridyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C21H15F2N3O2 MolecularWeight: 379.359506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)C#N)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)C#N)F

InChI

InChI=1S/C21H15F2N3O2/c1-28-21(27)20-16(3-2-4-17(20)22)14-6-7-15(18(23)9-14)12-26-19-8-5-13(10-24)11-25-19/h2-9,11H,12H2,1H3,(H,25,26)