N-[3-(hydroxymethyl)-9-bicyclo[3.3.1]nonanyl]-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide

Systemtic Name: N-[3-(hydroxymethyl)-9-bicyclo[3.3.1]nonanyl]-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Openeye Name: N-[3-(hydroxymethyl)-9-bicyclo[3.3.1]nonanyl]-5-isobutoxy-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]pyrazole-4-carboxamide CAS Name: N-[3-(hydroxymethyl)-9-bicyclo[3.3.1]nonanyl]-1-[(E)-3-methyl-3-(1-oxopropylamino)but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-[3-(hydroxymethyl)-9-bicyclo[3.3.1]nonanyl]-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 5-isobutoxy-N-(3-methylol-9-bicyclo[3.3.1]nonanyl)-1-[(E)-3-methyl-3-propionamido-but-1-enyl]pyrazole-4-carboxamide Formula: C26H42N4O4 MolecularWeight: 474.63608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)(C)C=CN1C(=C(C=N1)C(=O)NC2C3CCCC2CC(C3)CO)OCC(C)C

Isomeric SMILES

CCC(=O)NC(C)(C)/C=C/N1C(=C(C=N1)C(=O)NC2C3CCCC2CC(C3)CO)OCC(C)C

InChI

InChI=1S/C26H42N4O4/c1-6-22(32)29-26(4,5)10-11-30-25(34-16-17(2)3)21(14-27-30)24(33)28-23-19-8-7-9-20(23)13-18(12-19)15-31/h10-11,14,17-20,23,31H,6-9,12-13,15-16H2,1-5H3,(H,28,33)(H,29,32)/b11-10+