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

Systemtic Name: N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C25H33N3O MolecularWeight: 391.54902

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O/c1-16-5-7-20(8-6-16)28-22(12-21(27-28)24(2,3)4)26-23(29)25-13-17-9-18(14-25)11-19(10-17)15-25/h5-8,12,17-19H,9-11,13-15H2,1-4H3,(H,26,29)