1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]tetradecan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]tetradecan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]tetradecan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-tetradecanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]tetradecan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]tetradecan-1-one Formula: C26H40ClN3O2 MolecularWeight: 462.0677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C26H40ClN3O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-24(31)30-25(22-16-15-17-23(27)19-22)28-26(29-30)32-20-21(2)3/h15-17,19,21H,4-14,18,20H2,1-3H3