N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-[cyclohexylcarbamoyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-[cyclohexylcarbamoyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-[benzyl(cyclohexylcarbamoyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]-2-[[(cyclohexylamino)-oxomethyl]-(phenylmethyl)amino]acetamide IUPAC Name: 2-[benzyl(cyclohexylcarbamoyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[benzyl(cyclohexylcarbamoyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide Formula: C31H41N5O2 MolecularWeight: 515.68954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC4CCCCC4)C

InChI

InChI=1S/C31H41N5O2/c1-22-16-17-26(23(2)18-22)36-28(19-27(34-36)31(3,4)5)33-29(37)21-35(20-24-12-8-6-9-13-24)30(38)32-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,7,10-11,14-15,20-21H2,1-5H3,(H,32,38)(H,33,37)