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

Systemtic Name: ethyl 4-[[3-[[(6-ethanoylpyridin-3-yl)carbamoylamino]methyl]-4-fluoranyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[[(6-acetyl-3-pyridyl)carbamoylamino]methyl]-4-fluoro-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[[(6-acetyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]-4-fluorophenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[(6-acetylpyridin-3-yl)carbamoylamino]methyl]-4-fluorophenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(6-acetyl-3-pyridyl)carbamoylamino]methyl]-4-fluoro-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28FN5O4 MolecularWeight: 457.497923

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN5O4/c1-3-33-23(32)29-10-8-28(9-11-29)15-17-4-6-20(24)18(12-17)13-26-22(31)27-19-5-7-21(16(2)30)25-14-19/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H2,26,27,31)