2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-8-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-8-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(8-quinolyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-(8-quinolinyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-quinolin-8-ylpyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(8-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=C3N=CC=C4)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3N=CC=C4)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

InChI

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