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

Systemtic Name: 1-[(E)-3-(3-cyclopentylpropanoylamino)-3-methyl-but-1-enyl]-5-(2-methylpropoxy)-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-(3-cyclopentylpropanoylamino)-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide CAS Name: 1-[(E)-3-[(3-cyclopentyl-1-oxopropyl)amino]-3-methylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-3-(3-cyclopentylpropanoylamino)-3-methylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-3-(3-cyclopentylpropanoylamino)-3-methyl-but-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide Formula: C31H48N4O4 MolecularWeight: 540.73722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)CCC2CCCC2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)CCC2CCCC2)C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C31H48N4O4/c1-20(2)19-39-29-25(28(37)33-27-23-13-22-14-24(27)17-31(38,15-22)16-23)18-32-35(29)12-11-30(3,4)34-26(36)10-9-21-7-5-6-8-21/h11-12,18,20-24,27,38H,5-10,13-17,19H2,1-4H3,(H,33,37)(H,34,36)/b12-11+