1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(4-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClN3O2/c1-4-6-7-12(5-2)16(22)21-15(19-17(20-21)23-3)13-8-10-14(18)11-9-13/h8-12H,4-7H2,1-3H3