methyl 4-[[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[3-fluoro-5-(3-pyridylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-(3-pyridylcarbamoylamino)benzyl]piperazine-1-carboxylic acid methyl ester Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

Isomeric SMILES

COC(=O)N1CCN(CC1)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H22FN5O3/c1-28-19(27)25-7-5-24(6-8-25)13-14-9-15(20)11-17(10-14)23-18(26)22-16-3-2-4-21-12-16/h2-4,9-12H,5-8,13H2,1H3,(H2,22,23,26)