methyl 4-[[3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-fluoro-5-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-fluoro-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C20H24FN5O3 MolecularWeight: 401.434663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C20H24FN5O3/c1-14-3-4-17(12-22-14)23-19(27)24-18-10-15(9-16(21)11-18)13-25-5-7-26(8-6-25)20(28)29-2/h3-4,9-12H,5-8,13H2,1-2H3,(H2,23,24,27)