[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C24H28Cl2N2O2 MolecularWeight: 447.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H28Cl2N2O2/c1-23(2,3)20-10-21(28(27-20)17-4-5-18(25)19(26)9-17)30-22(29)24-11-14-6-15(12-24)8-16(7-14)13-24/h4-5,9-10,14-16H,6-8,11-13H2,1-3H3