1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide

Systemtic Name: 1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: 1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide CAS Name: 1-[(E)-4-acetamido-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-4-acetamido-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide Formula: C26H40N4O4 MolecularWeight: 472.6202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)CNC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)CNC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)O

InChI

InChI=1S/C26H40N4O4/c1-16(2)14-34-24-21(13-28-30(24)7-6-25(4,5)15-27-17(3)31)23(32)29-22-19-8-18-9-20(22)12-26(33,10-18)11-19/h6-7,13,16,18-20,22,33H,8-12,14-15H2,1-5H3,(H,27,31)(H,29,32)/b7-6+