methyl 4-[3-[[(6-cyanopyridin-3-yl)carbamoylamino]methyl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-[[(6-cyanopyridin-3-yl)carbamoylamino]methyl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-[[(6-cyano-3-pyridyl)carbamoylamino]methyl]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[[(6-cyano-3-pyridinyl)amino]-oxomethyl]amino]methyl]-2-fluorophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[[(6-cyanopyridin-3-yl)carbamoylamino]methyl]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(6-cyano-3-pyridyl)carbamoylamino]methyl]-2-fluoro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C20H21FN6O3 MolecularWeight: 412.417543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=CC(=C2F)CNC(=O)NC3=CN=C(C=C3)C#N

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=CC(=C2F)CNC(=O)NC3=CN=C(C=C3)C#N

InChI

InChI=1S/C20H21FN6O3/c1-30-20(29)27-9-7-26(8-10-27)17-4-2-3-14(18(17)21)12-24-19(28)25-16-6-5-15(11-22)23-13-16/h2-6,13H,7-10,12H2,1H3,(H2,24,25,28)