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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C)CC2=C(C(=CC=C2)NC(=O)NC3=CC(=NC=C3)C)F

Isomeric SMILES

CCOC(=O)N1CCN([C@H](C1)C)CC2=C(C(=CC=C2)NC(=O)NC3=CC(=NC=C3)C)F

InChI

InChI=1S/C22H28FN5O3/c1-4-31-22(30)28-11-10-27(16(3)13-28)14-17-6-5-7-19(20(17)23)26-21(29)25-18-8-9-24-15(2)12-18/h5-9,12,16H,4,10-11,13-14H2,1-3H3,(H2,24,25,26,29)/t16-/m0/s1