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

Systemtic Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-[5-(aminocarbonylamino)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-isobutoxy-N-(5-ureido-2-adamantyl)pyrazole-4-carboxamide CAS Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(carbamoylamino)-2-adamantyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(carbamoylamino)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-isobutoxy-N-(5-ureido-2-adamantyl)pyrazole-4-carboxamide Formula: C26H40N6O4 MolecularWeight: 500.6336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N6O4/c1-15(2)14-36-23-20(13-28-32(23)7-6-25(4,5)30-16(3)33)22(34)29-21-18-8-17-9-19(21)12-26(10-17,11-18)31-24(27)35/h6-7,13,15,17-19,21H,8-12,14H2,1-5H3,(H,29,34)(H,30,33)(H3,27,31,35)/b7-6+