(2S)-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-ethyl-hexanamide

Systemtic Name: (2S)-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-ethyl-hexanamide Openeye Name: (2S)-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-ethyl-hexanamide CAS Name: (2S)-N-[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-2-ethylhexanamide IUPAC Name: (2S)-N-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]-2-ethylhexanamide Traditional Name: (2S)-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-ethyl-hexanamide Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O/c1-5-7-11-20(6-2)25(29)26-24-17-22(21-12-9-8-10-13-21)27-28(24)23-15-14-18(3)16-19(23)4/h8-10,12-17,20H,5-7,11H2,1-4H3,(H,26,29)/t20-/m0/s1