[4-[[1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-propan-2-yloxy-pyrazol-4-yl]carbonylamino]-1-adamantyl]methyl carbamate

Systemtic Name: [4-[[1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-propan-2-yloxy-pyrazol-4-yl]carbonylamino]-1-adamantyl]methyl carbamate Openeye Name: [4-[[1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-isopropoxy-pyrazole-4-carbonyl]amino]-1-adamantyl]methyl carbamate CAS Name: carbamic acid [4-[[[1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-4-pyrazolyl]-oxomethyl]amino]-1-adamantyl]methyl ester IUPAC Name: [4-[[1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxypyrazole-4-carbonyl]amino]-1-adamantyl]methyl carbamate Traditional Name: carbamic acid [4-[[1-[(E)-3-acetamido-3-methyl-but-1-enyl]-5-isopropoxy-pyrazole-4-carbonyl]amino]-1-adamantyl]methyl ester Formula: C26H39N5O5 MolecularWeight: 501.61836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=NN1C=CC(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)COC(=O)N

Isomeric SMILES

CC(C)OC1=C(C=NN1/C=C/C(C)(C)NC(=O)C)C(=O)NC2C3CC4CC2CC(C4)(C3)COC(=O)N

InChI

InChI=1S/C26H39N5O5/c1-15(2)36-23-20(13-28-31(23)7-6-25(4,5)30-16(3)32)22(33)29-21-18-8-17-9-19(21)12-26(10-17,11-18)14-35-24(27)34/h6-7,13,15,17-19,21H,8-12,14H2,1-5H3,(H2,27,34)(H,29,33)(H,30,32)/b7-6+