4-[[2-methyl-2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(6-methyl-2-pyridyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(6-methyl-2-pyridyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C25H36N4O3/c1-16-5-4-6-20(26-16)28-7-9-29(10-8-28)24(2,3)22(30)27-21-18-11-17-12-19(21)15-25(13-17,14-18)23(31)32/h4-6,17-19,21H,7-15H2,1-3H3,(H,27,30)(H,31,32)