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

Systemtic Name: 1-[(E)-3-methyl-3-(2-phenylmethoxyethanoylamino)but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-[(2-benzyloxyacetyl)amino]-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(1-oxo-2-phenylmethoxyethyl)amino]but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-1-[(E)-3-methyl-3-[(2-phenylmethoxyacetyl)amino]but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-3-[(2-benzoxyacetyl)amino]-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide Formula: C32H44N4O5 MolecularWeight: 564.71556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)COCC2=CC=CC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)COCC2=CC=CC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C32H44N4O5/c1-21(2)18-41-30-26(29(38)34-28-24-12-23-13-25(28)16-32(39,14-23)15-24)17-33-36(30)11-10-31(3,4)35-27(37)20-40-19-22-8-6-5-7-9-22/h5-11,17,21,23-25,28,39H,12-16,18-20H2,1-4H3,(H,34,38)(H,35,37)/b11-10+