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

Systemtic Name: 2-[[1-(4-azanyl-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[1-(4-amino-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[1-(4-amino-2-methylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[1-(4-amino-2-methylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[1-(4-amino-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H34N4O5/c1-16-9-21(31)7-8-23(16)34-24(27-25(38-2)5-4-6-26(27)39-3)15-22(33-34)28(35)32-30(29(36)37)19-11-17-10-18(13-19)14-20(30)12-17/h4-9,15,17-20H,10-14,31H2,1-3H3,(H,32,35)(H,36,37)