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

Systemtic Name: methyl (2S)-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate Openeye Name: methyl (2S)-4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate CAS Name: (2S)-4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate Traditional Name: (2S)-4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-2-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(=C2F)CN3CCNC(C3)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN[C@@H](C3)C(=O)OC

InChI

InChI=1S/C20H24FN5O3/c1-13-6-7-15(10-23-13)24-20(28)25-16-5-3-4-14(18(16)21)11-26-9-8-22-17(12-26)19(27)29-2/h3-7,10,17,22H,8-9,11-12H2,1-2H3,(H2,24,25,28)/t17-/m0/s1