1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]methanone Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O5/c1-5-6-7-34-25-27-23(19-11-20(31-2)22(33-4)21(12-19)32-3)29(28-25)24(30)26-13-16-8-17(14-26)10-18(9-16)15-26/h11-12,16-18H,5-10,13-15H2,1-4H3