4-[[2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(6-chloropyridazin-3-yl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H32ClN5O3 MolecularWeight: 461.98488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5O3/c1-22(2,29-7-5-28(6-8-29)18-4-3-17(24)26-27-18)20(30)25-19-15-9-14-10-16(19)13-23(11-14,12-15)21(31)32/h3-4,14-16,19H,5-13H2,1-2H3,(H,25,30)(H,31,32)