1,4-bis(1-adamantyl)pyrazole-3-carboxylate

Systemtic Name: 1,4-bis(1-adamantyl)pyrazole-3-carboxylate Openeye Name: 1,4-bis(1-adamantyl)pyrazole-3-carboxylate CAS Name: 1,4-bis(1-adamantyl)-3-pyrazolecarboxylate IUPAC Name: 1,4-bis(1-adamantyl)pyrazole-3-carboxylate Traditional Name: 1,4-bis(1-adamantyl)pyrazole-3-carboxylate Formula: C24H31N2O2- MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN(N=C4C(=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN(N=C4C(=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C24H32N2O2/c27-22(28)21-20(23-7-14-1-15(8-23)3-16(2-14)9-23)13-26(25-21)24-10-17-4-18(11-24)6-19(5-17)12-24/h13-19H,1-12H2,(H,27,28)/p-1