1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-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)OCCOCC)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=CC=C2C

InChI

InChI=1S/C20H29N3O3/c1-4-6-7-8-13-18(24)23-19(17-12-10-9-11-16(17)3)21-20(22-23)26-15-14-25-5-2/h9-12H,4-8,13-15H2,1-3H3