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

Systemtic Name: 1-[(E)-3-methyl-3-(oxan-4-ylcarbonylamino)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-(tetrahydropyran-4-carbonylamino)but-1-enyl]pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[[4-oxanyl(oxo)methyl]amino]but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(oxane-4-carbonylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-methyl-3-(tetrahydropyran-4-carbonylamino)but-1-enyl]pyrazole-4-carboxamide Formula: C29H44N4O5 MolecularWeight: 528.68346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)C2CCOCC2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)C2CCOCC2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C29H44N4O5/c1-18(2)17-38-27-23(26(35)31-24-21-11-19-12-22(24)15-29(36,13-19)14-21)16-30-33(27)8-7-28(3,4)32-25(34)20-5-9-37-10-6-20/h7-8,16,18-22,24,36H,5-6,9-15,17H2,1-4H3,(H,31,35)(H,32,34)/b8-7+