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

Systemtic Name: 4-[[2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(5-chloro-2-pyridyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C24H33ClN4O3 MolecularWeight: 460.99682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN4O3/c1-23(2,29-7-5-28(6-8-29)19-4-3-18(25)14-26-19)21(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)22(31)32/h3-4,14-17,20H,5-13H2,1-2H3,(H,27,30)(H,31,32)