2-[[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[1-(4-carbamoyl-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[1-(4-carbamoyl-2-methylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[1-(4-carbamoyl-2-methylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[1-(4-carbamoyl-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC

InChI

InChI=1S/C31H34N4O6/c1-16-9-19(28(32)36)7-8-23(16)35-24(27-25(40-2)5-4-6-26(27)41-3)15-22(34-35)29(37)33-31(30(38)39)20-11-17-10-18(13-20)14-21(31)12-17/h4-9,15,17-18,20-21H,10-14H2,1-3H3,(H2,32,36)(H,33,37)(H,38,39)