5-(1-adamantyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 5-(1-adamantyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: 5-(1-adamantyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-(1-adamantyl)-1-phenyl-3-pyrazolecarboxylate IUPAC Name: 5-(1-adamantyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(1-adamantyl)-1-phenyl-pyrazole-3-carboxylate Formula: C20H21N2O2- MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4C5=CC=CC=C5)C(=O)[O-]

InChI

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