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

Systemtic Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-pentyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-pentyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-2-[[(3-chloro-4-fluoroanilino)-oxomethyl]-pentylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(3-chloro-4-fluorophenyl)carbamoyl-pentylamino]acetamide Traditional Name: 2-[amyl-[(3-chloro-4-fluoro-phenyl)carbamoyl]amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide Formula: C28H35ClFN5O2 MolecularWeight: 528.061203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C28H35ClFN5O2/c1-6-7-10-15-34(27(37)31-20-13-14-22(30)21(29)16-20)18-26(36)32-25-17-24(28(3,4)5)33-35(25)23-12-9-8-11-19(23)2/h8-9,11-14,16-17H,6-7,10,15,18H2,1-5H3,(H,31,37)(H,32,36)