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

Systemtic Name: ethyl 4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26FN5O3 MolecularWeight: 415.461243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O3/c1-3-30-21(29)27-11-9-26(10-12-27)18-6-4-5-16(19(18)22)13-24-20(28)25-17-8-7-15(2)23-14-17/h4-8,14H,3,9-13H2,1-2H3,(H2,24,25,28)