dimethyl 2-[[1-(1-adamantyl)-4-chloranyl-pyrazol-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-(1-adamantyl)-4-chloranyl-pyrazol-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(1-adamantyl)-4-chloro-pyrazole-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-(1-adamantyl)-4-chloro-3-pyrazolyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(1-adamantyl)-4-chloropyrazole-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(1-adamantyl)-4-chloro-pyrazole-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H26ClN3O5 MolecularWeight: 471.93334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=NN(C=C2Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=NN(C=C2Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H26ClN3O5/c1-32-22(30)16-3-4-17(23(31)33-2)19(8-16)26-21(29)20-18(25)12-28(27-20)24-9-13-5-14(10-24)7-15(6-13)11-24/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,26,29)