2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-5-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-5-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(5-quinolyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-(5-quinolinyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-5-ylpyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(5-quinolyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C32H32N4O5 MolecularWeight: 552.62028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3C=CC=N4)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3C=CC=N4)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

InChI

InChI=1S/C32H32N4O5/c1-40-27-9-4-10-28(41-2)29(27)26-17-24(35-36(26)25-8-3-7-23-22(25)6-5-11-33-23)30(37)34-32(31(38)39)20-13-18-12-19(15-20)16-21(32)14-18/h3-11,17-21H,12-16H2,1-2H3,(H,34,37)(H,38,39)