1-(3-acetamido-3-methyl-butyl)-N-[5-(hydroxymethyl)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide

Systemtic Name: 1-(3-acetamido-3-methyl-butyl)-N-[5-(hydroxymethyl)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Openeye Name: 1-(3-acetamido-3-methyl-butyl)-N-[5-(hydroxymethyl)-2-adamantyl]-5-isobutoxy-pyrazole-4-carboxamide CAS Name: 1-(3-acetamido-3-methylbutyl)-N-[5-(hydroxymethyl)-2-adamantyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-(3-acetamido-3-methylbutyl)-N-[5-(hydroxymethyl)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-(3-acetamido-3-methyl-butyl)-5-isobutoxy-N-(5-methylol-2-adamantyl)pyrazole-4-carboxamide Formula: C26H42N4O4 MolecularWeight: 474.63608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1CCC(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

Isomeric SMILES

CC(C)COC1=C(C=NN1CCC(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

InChI

InChI=1S/C26H42N4O4/c1-16(2)14-34-24-21(13-27-30(24)7-6-25(4,5)29-17(3)32)23(33)28-22-19-8-18-9-20(22)12-26(10-18,11-19)15-31/h13,16,18-20,22,31H,6-12,14-15H2,1-5H3,(H,28,33)(H,29,32)