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

Systemtic Name: ethyl 4-[[4-fluoranyl-3-[[(6-methoxypyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-fluoro-3-[[(6-methoxy-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[[(6-methoxy-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-fluoro-3-[[(6-methoxypyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[[(6-methoxy-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28FN5O4 MolecularWeight: 445.487223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(C=C3)OC

InChI

InChI=1S/C22H28FN5O4/c1-3-32-22(30)28-10-8-27(9-11-28)15-16-4-6-19(23)17(12-16)13-25-21(29)26-18-5-7-20(31-2)24-14-18/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H2,25,26,29)