2-(4-cyanonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-(4-cyanonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-(4-cyano-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-(4-cyano-1-naphthalenyl)-1-[[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-(4-cyanonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-(4-cyano-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Formula: C34H32N4O5 MolecularWeight: 576.64168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=NNC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4(C6=CC=C(C7=CC=CC=C76)C#N)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=NNC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4(C6=CC=C(C7=CC=CC=C76)C#N)C(=O)O

InChI

InChI=1S/C34H32N4O5/c1-42-28-8-5-9-29(43-2)30(28)26-15-27(38-37-26)31(39)36-33-16-19-12-20(17-33)14-22(13-19)34(33,32(40)41)25-11-10-21(18-35)23-6-3-4-7-24(23)25/h3-11,15,19-20,22H,12-14,16-17H2,1-2H3,(H,36,39)(H,37,38)(H,40,41)