3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)pyrazol-1-yl]ethyl]pyrazole

Systemtic Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)pyrazol-1-yl]ethyl]pyrazole Openeye Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)pyrazol-1-yl]ethyl]pyrazole CAS Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-1-pyrazolyl]ethyl]pyrazole IUPAC Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)pyrazol-1-yl]ethyl]pyrazole Traditional Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)pyrazol-1-yl]ethyl]pyrazole Formula: C41H54N6 MolecularWeight: 630.90766

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=CC(=N1)C23CC4CC(C2)CC(C4)C3)(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(N1C=CC(=N1)C23CC4CC(C2)CC(C4)C3)(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C41H54N6/c1-38(45-5-2-35(42-45)39-17-26-8-27(18-39)10-28(9-26)19-39,46-6-3-36(43-46)40-20-29-11-30(21-40)13-31(12-29)22-40)47-7-4-37(44-47)41-23-32-14-33(24-41)16-34(15-32)25-41/h2-7,26-34H,8-25H2,1H3