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

Systemtic Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-[5-(aminocarbonylcarbamoyl)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Openeye Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-(5-allophanoyl-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide CAS Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-[(carbamoylamino)-oxomethyl]-2-adamantyl]-5-(2-methylpropoxy)-4-pyrazolecarboxamide IUPAC Name: 1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(carbamoylcarbamoyl)-2-adamantyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide Traditional Name: 1-[(E)-3-acetamido-3-methyl-but-1-enyl]-N-(5-allophanoyl-2-adamantyl)-5-isobutoxy-pyrazole-4-carboxamide Formula: C27H40N6O5 MolecularWeight: 528.6437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N6O5/c1-15(2)14-38-23-20(13-29-33(23)7-6-26(4,5)32-16(3)34)22(35)30-21-18-8-17-9-19(21)12-27(10-17,11-18)24(36)31-25(28)37/h6-7,13,15,17-19,21H,8-12,14H2,1-5H3,(H,30,35)(H,32,34)(H3,28,31,36,37)/b7-6+