3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(1-adamantyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-(1-adamantyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxylate Formula: C20H21N2O2- MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C20H22N2O2/c23-19(24)17-12-22(16-4-2-1-3-5-16)21-18(17)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,23,24)/p-1