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

Systemtic Name: methyl 4-[3-[[(6-ethanoylpyridin-3-yl)carbamoylamino]methyl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-[[(6-acetyl-3-pyridyl)carbamoylamino]methyl]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[[(6-acetyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]-2-fluorophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[[(6-acetylpyridin-3-yl)carbamoylamino]methyl]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(6-acetyl-3-pyridyl)carbamoylamino]methyl]-2-fluoro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C21H24FN5O4 MolecularWeight: 429.444763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)N3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC(=O)C1=NC=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)N3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C21H24FN5O4/c1-14(28)17-7-6-16(13-23-17)25-20(29)24-12-15-4-3-5-18(19(15)22)26-8-10-27(11-9-26)21(30)31-2/h3-7,13H,8-12H2,1-2H3,(H2,24,25,29)