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

Systemtic Name: ethyl 4-[[3-[[(6-cyanopyridin-3-yl)carbamoylamino]methyl]-4-fluoranyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[[(6-cyano-3-pyridyl)carbamoylamino]methyl]-4-fluoro-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[[(6-cyano-3-pyridinyl)amino]-oxomethyl]amino]methyl]-4-fluorophenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[(6-cyanopyridin-3-yl)carbamoylamino]methyl]-4-fluorophenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(6-cyano-3-pyridyl)carbamoylamino]methyl]-4-fluoro-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25FN6O3 MolecularWeight: 440.470703

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN6O3/c1-2-32-22(31)29-9-7-28(8-10-29)15-16-3-6-20(23)17(11-16)13-26-21(30)27-19-5-4-18(12-24)25-14-19/h3-6,11,14H,2,7-10,13,15H2,1H3,(H2,26,27,30)