1-[(E)-3-(butanoylamino)-3-methyl-but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide

Systemtic Name: 1-[(E)-3-(butanoylamino)-3-methyl-but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-(butanoylamino)-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(1-oxobutylamino)but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-3-(butanoylamino)-3-methylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-3-butyramido-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide Formula: C27H42N4O4 MolecularWeight: 486.64678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)(C)C=CN1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)O)OCC(C)C

Isomeric SMILES

CCCC(=O)NC(C)(C)/C=C/N1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)O)OCC(C)C

InChI

InChI=1S/C27H42N4O4/c1-6-7-22(32)30-26(4,5)8-9-31-25(35-16-17(2)3)21(15-28-31)24(33)29-23-19-10-18-11-20(23)14-27(34,12-18)13-19/h8-9,15,17-20,23,34H,6-7,10-14,16H2,1-5H3,(H,29,33)(H,30,32)/b9-8+