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

Systemtic Name: ethyl 4-[[4-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN5O3/c1-3-31-22(30)28-10-8-27(9-11-28)15-17-5-7-20(23)18(12-17)13-25-21(29)26-19-6-4-16(2)24-14-19/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H2,25,26,29)