5-[3-(4-tert-butylphenoxy)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one

Systemtic Name: 5-[3-(4-tert-butylphenoxy)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3CC(=O)C=C(C3N4C=NC=N4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3CC(=O)C=C(C3N4C=NC=N4)O

InChI

InChI=1S/C24H25N3O3/c1-24(2,3)17-7-9-19(10-8-17)30-20-6-4-5-16(11-20)21-12-18(28)13-22(29)23(21)27-15-25-14-26-27/h4-11,13-15,21,23,29H,12H2,1-3H3