4-[[5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]-1-cyclohexyl-piperazin-2-one

Systemtic Name: 4-[[5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]-1-cyclohexyl-piperazin-2-one Openeye Name: 4-[5-[(2-chloro-4-fluoro-phenoxy)methyl]isoxazole-3-carbonyl]-1-cyclohexyl-piperazin-2-one CAS Name: 4-[[5-[(2-chloro-4-fluorophenoxy)methyl]-3-isoxazolyl]-oxomethyl]-1-cyclohexyl-2-piperazinone IUPAC Name: 4-[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-1-cyclohexylpiperazin-2-one Traditional Name: 4-[5-[(2-chloro-4-fluoro-phenoxy)methyl]isoxazole-3-carbonyl]-1-cyclohexyl-piperazin-2-one Formula: C21H23ClFN3O4 MolecularWeight: 435.876423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2=O)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2=O)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H23ClFN3O4/c22-17-10-14(23)6-7-19(17)29-13-16-11-18(24-30-16)21(28)25-8-9-26(20(27)12-25)15-4-2-1-3-5-15/h6-7,10-11,15H,1-5,8-9,12-13H2