3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]ethyl]-5-methyl-pyrazole

Systemtic Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]ethyl]-5-methyl-pyrazole Openeye Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]ethyl]-5-methyl-pyrazole CAS Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methyl-1-pyrazolyl]ethyl]-5-methylpyrazole IUPAC Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methylpyrazol-1-yl]ethyl]-5-methylpyrazole Traditional Name: 3-(1-adamantyl)-1-[1,1-bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]ethyl]-5-methyl-pyrazole Formula: C44H60N6 MolecularWeight: 672.9874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(N2C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C)N6C(=CC(=N6)C78CC9CC(C7)CC(C9)C8)C)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC1=CC(=NN1C(C)(N2C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C)N6C(=CC(=N6)C78CC9CC(C7)CC(C9)C8)C)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C44H60N6/c1-26-5-38(42-17-29-8-30(18-42)10-31(9-29)19-42)45-48(26)41(4,49-27(2)6-39(46-49)43-20-32-11-33(21-43)13-34(12-32)22-43)50-28(3)7-40(47-50)44-23-35-14-36(24-44)16-37(15-35)25-44/h5-7,29-37H,8-25H2,1-4H3