1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]dodecan-1-one

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]dodecan-1-one Formula: C27H43N3O2 MolecularWeight: 441.64922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C27H43N3O2/c1-7-8-9-10-11-12-13-14-15-16-24(31)30-25(28-26(29-30)32-21(2)3)22-17-19-23(20-18-22)27(4,5)6/h17-21H,7-16H2,1-6H3