1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-methoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C21H25N3O3/c1-26-17-5-3-4-16(9-17)18-22-20(27-2)23-24(18)19(25)21-10-13-6-14(11-21)8-15(7-13)12-21/h3-5,9,13-15H,6-8,10-12H2,1-2H3