4-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-2,5-dimethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-2,5-dimethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2,5-dimethyl-pyrazole-3-carboxylic acid CAS Name: 4-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2,5-dimethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-2,5-dimethylpyrazole-3-carboxylic acid Traditional Name: 4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2,5-dimethyl-pyrazole-3-carboxylic acid Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O)C

InChI

InChI=1S/C24H28ClN3O3/c1-13-20(21(23(30)31)28(2)27-13)17-3-4-19(25)18(8-17)22(29)26-12-24-9-14-5-15(10-24)7-16(6-14)11-24/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,26,29)(H,30,31)