sodium 2-[[1-(4-aminocarbonylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylate

Systemtic Name: sodium 2-[[1-(4-aminocarbonylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylate Openeye Name: sodium 2-[[1-(4-carbamoyl-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylate CAS Name: sodium 2-[[[1-(4-carbamoyl-1-naphthalenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylate IUPAC Name: sodium 2-[[1-(4-carbamoylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylate Traditional Name: sodium 2-[[1-(4-carbamoyl-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylate Formula: C34H33N4NaO6 MolecularWeight: 616.63879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)N)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)N)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)[O-].[Na+]

InChI

InChI=1S/C34H34N4O6.Na/c1-43-28-8-5-9-29(44-2)30(28)27-17-25(37-38(27)26-11-10-24(31(35)39)22-6-3-4-7-23(22)26)32(40)36-34(33(41)42)20-13-18-12-19(15-20)16-21(34)14-18;/h3-11,17-21H,12-16H2,1-2H3,(H2,35,39)(H,36,40)(H,41,42);/q;+1/p-1