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

Systemtic Name: 2-[[1-(6-chloranylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[1-(6-chloro-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[1-(6-chloro-1-naphthalenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[1-(6-chloronaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[1-(6-chloro-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C33H32ClN3O5 MolecularWeight: 586.07728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32ClN3O5/c1-41-28-7-4-8-29(42-2)30(28)27-17-25(36-37(27)26-6-3-5-20-16-23(34)9-10-24(20)26)31(38)35-33(32(39)40)21-12-18-11-19(14-21)15-22(33)13-18/h3-10,16-19,21-22H,11-15H2,1-2H3,(H,35,38)(H,39,40)