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

Systemtic Name: 1-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C20H28ClN3O2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2/c1-4-7-10-15(6-3)19(25)24-18(16-11-9-12-17(21)14-16)22-20(23-24)26-13-8-5-2/h9,11-12,14-15H,4-8,10,13H2,1-3H3