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

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

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3C=CN=C4)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

InChI

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