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

Systemtic Name: 1-adamantyl-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC(=CC=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC(=CC=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O3/c1-14(2)29-22-24-20(18-5-4-6-19(10-18)28-3)26(25-22)21(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-6,10,14-17H,7-9,11-13H2,1-3H3