methyl 4-[2-fluoranyl-3-[(pyridin-3-ylcarbamoylamino)methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-fluoranyl-3-[(pyridin-3-ylcarbamoylamino)methyl]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-fluoro-3-[(3-pyridylcarbamoylamino)methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-3-[[[oxo-(3-pyridinylamino)methyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-fluoro-3-[(pyridin-3-ylcarbamoylamino)methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[(3-pyridylcarbamoylamino)methyl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C19H22FN5O3 MolecularWeight: 387.408083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O3/c1-28-19(27)25-10-8-24(9-11-25)16-6-2-4-14(17(16)20)12-22-18(26)23-15-5-3-7-21-13-15/h2-7,13H,8-12H2,1H3,(H2,22,23,26)