3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CN1C(=NN=C1C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C22H29N3O3/c1-25-20(16-8-17(26-2)19(28-4)18(9-16)27-3)23-24-21(25)22-10-13-5-14(11-22)7-15(6-13)12-22/h8-9,13-15H,5-7,10-12H2,1-4H3