[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C25H32FN5O5 MolecularWeight: 501.550483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H32FN5O5/c1-17-8-9-19(14-27-17)28-23(33)29-20-7-5-6-18(22(20)26)15-30-10-12-31(13-11-30)24(34)35-16-21(32)36-25(2,3)4/h5-9,14H,10-13,15-16H2,1-4H3,(H2,28,29,33)