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

Systemtic Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-5-8-10-16(7-3)20(25)24-19(17-11-13-18(26-4)14-12-17)22-21(23-24)27-15-9-6-2/h11-14,16H,5-10,15H2,1-4H3