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

Systemtic Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C26H33N3O2 MolecularWeight: 419.55912

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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)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2/c1-6-8-18-31-25-27-23(20-14-16-21(17-15-20)26(3,4)5)29(28-25)24(30)22(7-2)19-12-10-9-11-13-19/h9-17,22H,6-8,18H2,1-5H3