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

Systemtic Name: methyl 4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-2,2-dimethyl-piperazine-1-carboxylate Openeye Name: methyl 4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]-2,2-dimethyl-piperazine-1-carboxylate CAS Name: 4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-2,2-dimethyl-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-2,2-dimethylpiperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]-2,2-dimethyl-piperazine-1-carboxylic acid methyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(C(C3)(C)C)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(C(C3)(C)C)C(=O)OC

InChI

InChI=1S/C22H28FN5O3/c1-15-8-9-17(12-24-15)25-20(29)26-18-7-5-6-16(19(18)23)13-27-10-11-28(21(30)31-4)22(2,3)14-27/h5-9,12H,10-11,13-14H2,1-4H3,(H2,25,26,29)