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

Systemtic Name: ethyl 4-[cyclopropyl-[5-(2-fluoranyl-5-methyl-phenyl)-1,2-oxazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[cyclopropyl-[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[cyclopropyl-[5-(2-fluoro-5-methylphenyl)-3-isoxazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[cyclopropyl-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[cyclopropyl-[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2CC2)C3=NOC(=C3)C4=C(C=CC(=C4)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2CC2)C3=NOC(=C3)C4=C(C=CC(=C4)C)F

InChI

InChI=1S/C21H26FN3O3/c1-3-27-21(26)25-10-8-24(9-11-25)20(15-5-6-15)18-13-19(28-23-18)16-12-14(2)4-7-17(16)22/h4,7,12-13,15,20H,3,5-6,8-11H2,1-2H3