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

Systemtic Name: 1-adamantyl-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC(C)C

InChI

InChI=1S/C23H29N3O2/c1-14(2)28-22-24-20(19-7-5-4-6-15(19)3)26(25-22)21(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,14,16-18H,8-13H2,1-3H3