N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H35N3O/c1-16-6-7-21(17(2)8-16)29-23(12-22(28-29)25(3,4)5)27-24(30)26-13-18-9-19(14-26)11-20(10-18)15-26/h6-8,12,18-20H,9-11,13-15H2,1-5H3,(H,27,30)