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

Systemtic Name: 1-adamantyl-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-3-4-9-29-23-25-21(20-7-5-16(2)6-8-20)27(26-23)22(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,3-4,9-15H2,1-2H3