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

Systemtic Name: 2-(4-azanylnaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-(4-amino-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-(4-amino-1-naphthalenyl)-1-[[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-(4-aminonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-(4-amino-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Formula: C33H34N4O5 MolecularWeight: 566.64686

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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)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)N)C(=O)O

InChI

InChI=1S/C33H34N4O5/c1-41-27-8-5-9-28(42-2)29(27)25-15-26(37-36-25)30(38)35-32-16-18-12-19(17-32)14-20(13-18)33(32,31(39)40)23-10-11-24(34)22-7-4-3-6-21(22)23/h3-11,15,18-20H,12-14,16-17,34H2,1-2H3,(H,35,38)(H,36,37)(H,39,40)