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

Systemtic Name: 3-[5-chloranyl-4-[(4-methylcyclohexyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-6-keto-4-[(4-methylcyclohexyl)amino]pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

Isomeric SMILES

CC1CCC(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

InChI

InChI=1S/C22H30ClN3O3/c1-13-2-4-16(5-3-13)25-17-11-24-26(19(27)18(17)23)22-9-14-6-15(10-22)8-21(7-14,12-22)20(28)29/h11,13-16,25H,2-10,12H2,1H3,(H,28,29)