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

Systemtic Name: 2-ethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H29N3O2/c1-5-8-9-16(7-3)19(24)23-18(17-12-10-15(4)11-13-17)21-20(22-23)25-14-6-2/h10-13,16H,5-9,14H2,1-4H3