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

Systemtic Name: ethyl 4-[cyano-[5-(2-fluoranyl-5-methyl-phenyl)-1,2-oxazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[cyano-[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[cyano-[5-(2-fluoro-5-methylphenyl)-3-isoxazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[cyano-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[cyano-[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21FN4O3 MolecularWeight: 372.393443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#N)C2=NOC(=C2)C3=C(C=CC(=C3)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#N)C2=NOC(=C2)C3=C(C=CC(=C3)C)F

InChI

InChI=1S/C19H21FN4O3/c1-3-26-19(25)24-8-6-23(7-9-24)17(12-21)16-11-18(27-22-16)14-10-13(2)4-5-15(14)20/h4-5,10-11,17H,3,6-9H2,1-2H3