1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C22H33N3O2/c1-8-9-14-27-20-23-19(25(24-20)18(26)15-21(2,3)4)16-10-12-17(13-11-16)22(5,6)7/h10-13H,8-9,14-15H2,1-7H3