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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-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-keto-2-methoxy-ethyl) ester Formula: C22H26FN5O5 MolecularWeight: 459.470743

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5O5/c1-15-6-7-17(12-24-15)25-21(30)26-18-5-3-4-16(20(18)23)13-27-8-10-28(11-9-27)22(31)33-14-19(29)32-2/h3-7,12H,8-11,13-14H2,1-2H3,(H2,25,26,30)