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

Systemtic Name: methyl N-[(E)-4-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-propan-2-yloxy-pyrazol-1-yl]-2-methyl-but-3-en-2-yl]carbamate Openeye Name: methyl N-[(E)-3-[4-[[5-(hydroxymethyl)-2-adamantyl]carbamoyl]-5-isopropoxy-pyrazol-1-yl]-1,1-dimethyl-allyl]carbamate CAS Name: N-[(E)-4-[4-[[[5-(hydroxymethyl)-2-adamantyl]amino]-oxomethyl]-5-propan-2-yloxy-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-propan-2-yloxypyrazol-1-yl]-2-methylbut-3-en-2-yl]carbamate Traditional Name: N-[(E)-3-[5-isopropoxy-4-[(5-methylol-2-adamantyl)carbamoyl]pyrazol-1-yl]-1,1-dimethyl-allyl]carbamic acid methyl ester Formula: C25H38N4O5 MolecularWeight: 474.59302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=NN1C=CC(C)(C)NC(=O)OC)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

Isomeric SMILES

CC(C)OC1=C(C=NN1/C=C/C(C)(C)NC(=O)OC)C(=O)NC2C3CC4CC2CC(C4)(C3)CO

InChI

InChI=1S/C25H38N4O5/c1-15(2)34-22-19(13-26-29(22)7-6-24(3,4)28-23(32)33-5)21(31)27-20-17-8-16-9-18(20)12-25(10-16,11-17)14-30/h6-7,13,15-18,20,30H,8-12,14H2,1-5H3,(H,27,31)(H,28,32)/b7-6+