1-adamantyl-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]methanone Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3O2/c1-14(2)13-29-22-25-20(18-4-3-5-19(24)9-18)27(26-22)21(28)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,14-17H,6-8,10-13H2,1-2H3