4-[[2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(5-cyano-2-pyridyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(5-cyano-2-pyridyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H33N5O3 MolecularWeight: 451.56122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=C(C=C5)C#N

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C25H33N5O3/c1-24(2,30-7-5-29(6-8-30)20-4-3-16(14-26)15-27-20)22(31)28-21-18-9-17-10-19(21)13-25(11-17,12-18)23(32)33/h3-4,15,17-19,21H,5-13H2,1-2H3,(H,28,31)(H,32,33)