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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-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)OCCC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

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