4-[[2-[4-(3-chloranyl-5-cyano-pyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-(3-chloranyl-5-cyano-pyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(3-chloro-5-cyano-2-pyridyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(3-chloro-5-cyano-2-pyridinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(3-chloro-5-cyanopyridin-2-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(3-chloro-5-cyano-2-pyridyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H32ClN5O3 MolecularWeight: 486.00628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=C(C=C(C=N5)C#N)Cl

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=C(C=C(C=N5)C#N)Cl

InChI

InChI=1S/C25H32ClN5O3/c1-24(2,31-5-3-30(4-6-31)21-19(26)9-16(13-27)14-28-21)22(32)29-20-17-7-15-8-18(20)12-25(10-15,11-17)23(33)34/h9,14-15,17-18,20H,3-8,10-12H2,1-2H3,(H,29,32)(H,33,34)