[4-[[1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-1-adamantyl] carbamate

Systemtic Name: [4-[[1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-1-adamantyl] carbamate Openeye Name: [4-[[1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-isobutoxy-pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate CAS Name: carbamic acid [4-[[[1-[(E)-4-acetamido-3,3-dimethylbut-1-enyl]-5-(2-methylpropoxy)-4-pyrazolyl]-oxomethyl]amino]-1-adamantyl] ester IUPAC Name: [4-[[1-[(E)-4-acetamido-3,3-dimethylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate Traditional Name: carbamic acid [4-[[1-[(E)-4-acetamido-3,3-dimethyl-but-1-enyl]-5-isobutoxy-pyrazole-4-carbonyl]amino]-1-adamantyl] ester Formula: C27H41N5O5 MolecularWeight: 515.64494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N5O5/c1-16(2)14-36-24-21(13-30-32(24)7-6-26(4,5)15-29-17(3)33)23(34)31-22-19-8-18-9-20(22)12-27(10-18,11-19)37-25(28)35/h6-7,13,16,18-20,22H,8-12,14-15H2,1-5H3,(H2,28,35)(H,29,33)(H,31,34)/b7-6+