1-[5-chloranyl-4-[(2,3-dimethylcyclohexyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid

Systemtic Name: 1-[5-chloranyl-4-[(2,3-dimethylcyclohexyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid Openeye Name: 1-[5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic acid CAS Name: 1-[5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxo-1-pyridazinyl]-2-adamantanecarboxylic acid IUPAC Name: 1-[5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid Traditional Name: 1-[5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-keto-pyridazin-1-yl]adamantane-2-carboxylic acid Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl

Isomeric SMILES

CC1CCCC(C1C)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl

InChI

InChI=1S/C23H32ClN3O3/c1-12-4-3-5-17(13(12)2)26-18-11-25-27(21(28)20(18)24)23-9-14-6-15(10-23)8-16(7-14)19(23)22(29)30/h11-17,19,26H,3-10H2,1-2H3,(H,29,30)