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

Systemtic Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-4-6-8-9-10-18(24)23-19(16-11-13-17(25-3)14-12-16)21-20(22-23)26-15-7-5-2/h11-14H,4-10,15H2,1-3H3