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

Systemtic Name: 1-[(E)-3-methyl-3-(propanoylamino)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-(propanoylamino)but-1-enyl]pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(1-oxopropylamino)but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-methyl-3-propionamido-but-1-enyl]pyrazole-4-carboxamide Formula: C26H40N4O4 MolecularWeight: 472.6202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O4/c1-6-21(31)29-25(4,5)7-8-30-24(34-15-16(2)3)20(14-27-30)23(32)28-22-18-9-17-10-19(22)13-26(33,11-17)12-18/h7-8,14,16-19,22,33H,6,9-13,15H2,1-5H3,(H,28,32)(H,29,31)/b8-7+