methyl N-[(E)-4-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methyl-but-3-en-2-yl]carbamate

Systemtic Name: methyl N-[(E)-4-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methyl-but-3-en-2-yl]carbamate Openeye Name: methyl N-[(E)-3-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-isobutoxy-pyrazol-1-yl]-1,1-dimethyl-allyl]carbamate CAS Name: N-[(E)-4-[4-[[[5-(hydroxymethyl)-2-adamantyl]amino]-oxomethyl]-5-(2-methylpropoxy)-1-pyrazolyl]-2-methylbut-3-en-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-4-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methylbut-3-en-2-yl]carbamate Traditional Name: N-[(E)-3-[5-isobutoxy-4-[(5-methylol-2-adamantyl)carbamoyl]pyrazol-1-yl]-1,1-dimethyl-allyl]carbamic acid methyl ester Formula: C26H40N4O5 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O5/c1-16(2)14-35-23-20(13-27-30(23)7-6-25(3,4)29-24(33)34-5)22(32)28-21-18-8-17-9-19(21)12-26(10-17,11-18)15-31/h6-7,13,16-19,21,31H,8-12,14-15H2,1-5H3,(H,28,32)(H,29,33)/b7-6+