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

Systemtic Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)pyrazol-1-yl]methyl]pyrazole Openeye Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)pyrazol-1-yl]methyl]pyrazole CAS Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)-1-pyrazolyl]methyl]pyrazole IUPAC Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)pyrazol-1-yl]methyl]pyrazole Traditional Name: 3-(1-adamantyl)-1-[bis[3-(1-adamantyl)pyrazol-1-yl]methyl]pyrazole Formula: C40H52N6 MolecularWeight: 616.88108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4)C(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4)C(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C40H52N6/c1-4-44(41-34(1)38-16-25-7-26(17-38)9-27(8-25)18-38)37(45-5-2-35(42-45)39-19-28-10-29(20-39)12-30(11-28)21-39)46-6-3-36(43-46)40-22-31-13-32(23-40)15-33(14-31)24-40/h1-6,25-33,37H,7-24H2