1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-propan-2-yloxy-pyrazole-4-carboxamide

Systemtic Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-propan-2-yloxy-pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-isopropoxy-pyrazole-4-carboxamide CAS Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-propan-2-yloxy-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-propan-2-yloxypyrazole-4-carboxamide Traditional Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-isopropoxy-N-(5-methylol-2-adamantyl)pyrazole-4-carboxamide Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=NN1C=CC(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

Isomeric SMILES

CC(C)OC1=C(C=NN1/C=C/C(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

InChI

InChI=1S/C25H38N4O4/c1-15(2)33-23-20(13-26-29(23)7-6-24(4,5)28-16(3)31)22(32)27-21-18-8-17-9-19(21)12-25(10-17,11-18)14-30/h6-7,13,15,17-19,21,30H,8-12,14H2,1-5H3,(H,27,32)(H,28,31)/b7-6+