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

Systemtic Name: methyl 4-[[3-[(6-ethenylpyridin-3-yl)carbamoylamino]-2-fluoranyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[2-fluoro-3-[(6-vinyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[(6-ethenyl-3-pyridinyl)amino]-oxomethyl]amino]-2-fluorophenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[(6-ethenylpyridin-3-yl)carbamoylamino]-2-fluorophenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[(6-vinyl-3-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C21H24FN5O3 MolecularWeight: 413.445363

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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=C)F

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O3/c1-3-16-7-8-17(13-23-16)24-20(28)25-18-6-4-5-15(19(18)22)14-26-9-11-27(12-10-26)21(29)30-2/h3-8,13H,1,9-12,14H2,2H3,(H2,24,25,28)