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

Systemtic Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]methyl]-5-methyl-pyrazole Openeye Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]methyl]-5-methyl-pyrazole CAS Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-5-methyl-1-pyrazolyl]methyl]-5-methylpyrazole IUPAC Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazole Traditional Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]methyl]-5-methyl-pyrazole Formula: C43H58N6 MolecularWeight: 658.96082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(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(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/C43H58N6/c1-25-4-37(41-16-28-7-29(17-41)9-30(8-28)18-41)44-47(25)40(48-26(2)5-38(45-48)42-19-31-10-32(20-42)12-33(11-31)21-42)49-27(3)6-39(46-49)43-22-34-13-35(23-43)15-36(14-34)24-43/h4-6,28-36,40H,7-24H2,1-3H3