methyl 4-[[4-fluoranyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[4-fluoranyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-fluoro-3-[(1-methylpyrazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[(1-methyl-3-pyrazolyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-[(1-methylpyrazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C18H23FN6O3 MolecularWeight: 390.412023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)NC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CN1C=CC(=N1)NC(=O)NC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C18H23FN6O3/c1-23-6-5-16(22-23)21-17(26)20-15-11-13(3-4-14(15)19)12-24-7-9-25(10-8-24)18(27)28-2/h3-6,11H,7-10,12H2,1-2H3,(H2,20,21,22,26)