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

Systemtic Name: 1-[(E)-3-methyl-3-(2-methylpropanoylamino)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-(2-methylpropanoylamino)but-1-enyl]pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(2-methyl-1-oxopropyl)amino]but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-(2-methylpropanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-(isobutyrylamino)-3-methyl-but-1-enyl]pyrazole-4-carboxamide Formula: C27H42N4O4 MolecularWeight: 486.64678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)C(C)C)C(=O)NC2C3CC4CC2CC(C4)(C3)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)C(C)C)C(=O)NC2C3CC4CC2CC(C4)(C3)O

InChI

InChI=1S/C27H42N4O4/c1-16(2)15-35-25-21(14-28-31(25)8-7-26(5,6)30-23(32)17(3)4)24(33)29-22-19-9-18-10-20(22)13-27(34,11-18)12-19/h7-8,14,16-20,22,34H,9-13,15H2,1-6H3,(H,29,33)(H,30,32)/b8-7+