1-[5-(2,4-dichlorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]heptan-1-one

Systemtic Name: 1-[5-(2,4-dichlorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(2,4-dichlorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(2,4-dichlorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(2,4-dichlorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(2,4-dichlorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]heptan-1-one Formula: C18H23Cl2N3O2 MolecularWeight: 384.30012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H23Cl2N3O2/c1-4-5-6-7-8-16(24)23-17(21-18(22-23)25-12(2)3)14-10-9-13(19)11-15(14)20/h9-12H,4-8H2,1-3H3