3,5-bis(1-adamantyl)-1H-pyrazole

Systemtic Name: 3,5-bis(1-adamantyl)-1H-pyrazole Openeye Name: 3,5-bis(1-adamantyl)-1H-pyrazole CAS Name: 3,5-bis(1-adamantyl)-1H-pyrazole IUPAC Name: 3,5-bis(1-adamantyl)-1H-pyrazole Traditional Name: 3,5-bis(1-adamantyl)-1H-pyrazole Formula: C23H32N2 MolecularWeight: 338.500398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=[15N][15NH]4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C23H32N2/c1-14-2-16-3-15(1)9-22(8-14,10-16)20-7-21(25-24-20)23-11-17-4-18(12-23)6-19(5-17)13-23/h7,14-19H,1-6,8-13H2,(H,24,25)/i24+1,25+1