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

Systemtic Name: 1-[(E)-3-methyl-3-(3-methylbutanoylamino)but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-methyl-3-(3-methylbutanoylamino)but-1-enyl]pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(3-methyl-1-oxobutyl)amino]but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(3-methylbutanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-(isovalerylamino)-3-methyl-but-1-enyl]pyrazole-4-carboxamide Formula: C28H44N4O4 MolecularWeight: 500.67336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N4O4/c1-17(2)9-23(33)31-27(5,6)7-8-32-26(36-16-18(3)4)22(15-29-32)25(34)30-24-20-10-19-11-21(24)14-28(35,12-19)13-20/h7-8,15,17-21,24,35H,9-14,16H2,1-6H3,(H,30,34)(H,31,33)/b8-7+