methyl 4-[[4-fluoranyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[4-fluoranyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-fluoro-3-[(5-methylisoxazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[(5-methyl-3-isoxazolyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[(5-methylisoxazol-3-yl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C18H22FN5O4 MolecularWeight: 391.396783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)NC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C18H22FN5O4/c1-12-9-16(22-28-12)21-17(25)20-15-10-13(3-4-14(15)19)11-23-5-7-24(8-6-23)18(26)27-2/h3-4,9-10H,5-8,11H2,1-2H3,(H2,20,21,22,25)