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

Systemtic Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]nonan-1-one Openeye Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]nonan-1-one CAS Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-1-nonanone IUPAC Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]nonan-1-one Traditional Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]nonan-1-one Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H39N3O2/c1-6-8-10-11-12-13-14-22(29)28-23(26-24(27-28)30-19-9-7-2)20-15-17-21(18-16-20)25(3,4)5/h15-18H,6-14,19H2,1-5H3