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

Systemtic Name: methyl 4-[[3-[(6-cyanopyridin-3-yl)carbamoylamino]-2-fluoranyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[3-[(6-cyano-3-pyridyl)carbamoylamino]-2-fluoro-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[(6-cyano-3-pyridinyl)amino]-oxomethyl]amino]-2-fluorophenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[(6-cyanopyridin-3-yl)carbamoylamino]-2-fluorophenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(6-cyano-3-pyridyl)carbamoylamino]-2-fluoro-benzyl]piperazine-1-carboxylic acid methyl ester Formula: C20H21FN6O3 MolecularWeight: 412.417543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O3/c1-30-20(29)27-9-7-26(8-10-27)13-14-3-2-4-17(18(14)21)25-19(28)24-16-6-5-15(11-22)23-12-16/h2-6,12H,7-10,13H2,1H3,(H2,24,25,28)