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

Systemtic Name: 1-[3-butoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-5-8-11-16(7-3)20(25)24-19(17-12-10-13-18(15-17)26-4)22-21(23-24)27-14-9-6-2/h10,12-13,15-16H,5-9,11,14H2,1-4H3