2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-ethyl-amino]-N-(2,5-ditert-butylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-ethyl-amino]-N-(2,5-ditert-butylpyrazol-3-yl)ethanamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamoyl-ethyl-amino]-N-(2,5-ditert-butylpyrazol-3-yl)acetamide CAS Name: 2-[[(3-chloro-4-fluoroanilino)-oxomethyl]-ethylamino]-N-(2,5-ditert-butyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]-N-(2,5-ditert-butylpyrazol-3-yl)acetamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)carbamoyl-ethyl-amino]-N-(2,5-ditert-butylpyrazol-3-yl)acetamide Formula: C22H31ClFN5O2 MolecularWeight: 451.965243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C22H31ClFN5O2/c1-8-28(20(31)25-14-9-10-16(24)15(23)11-14)13-19(30)26-18-12-17(21(2,3)4)27-29(18)22(5,6)7/h9-12H,8,13H2,1-7H3,(H,25,31)(H,26,30)