N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]-2-[[(3-chloro-4-fluoroanilino)-oxomethyl]-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]acetamide Formula: C26H31ClFN5O3 MolecularWeight: 516.007443

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H31ClFN5O3/c1-6-13-32(25(35)29-17-7-12-21(28)20(27)14-17)16-24(34)30-23-15-22(26(2,3)4)31-33(23)18-8-10-19(36-5)11-9-18/h7-12,14-15H,6,13,16H2,1-5H3,(H,29,35)(H,30,34)