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

Systemtic Name: 1-[(E)-3-methyl-3-(2-phenoxyethanoylamino)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-phenoxyacetyl)amino]but-1-enyl]pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(1-oxo-2-phenoxyethyl)amino]but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(2-phenoxyacetyl)amino]but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-5-isobutoxy-1-[(E)-3-methyl-3-[(2-phenoxyacetyl)amino]but-1-enyl]pyrazole-4-carboxamide Formula: C31H42N4O5 MolecularWeight: 550.68898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)COC2=CC=CC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)COC2=CC=CC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C31H42N4O5/c1-20(2)18-40-29-25(28(37)33-27-22-12-21-13-23(27)16-31(38,14-21)15-22)17-32-35(29)11-10-30(3,4)34-26(36)19-39-24-8-6-5-7-9-24/h5-11,17,20-23,27,38H,12-16,18-19H2,1-4H3,(H,33,37)(H,34,36)/b11-10+