6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-one

Systemtic Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-one Openeye Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-one CAS Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-hexanone IUPAC Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-one Traditional Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(C(=O)C(C)(C)C)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(C(=O)C(C)(C)C)N2C=NC=N2

InChI

InChI=1S/C20H29N3O2/c1-19(2,3)15-7-9-16(10-8-15)25-12-11-17(18(24)20(4,5)6)23-14-21-13-22-23/h7-10,13-14,17H,11-12H2,1-6H3