3-[1-(oxan-2-yloxy)ethyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(oxan-2-yloxy)ethyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-phenoxyethyl)-3-(1-tetrahydropyran-2-yloxyethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[1-(2-oxanyloxy)ethyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(oxan-2-yloxy)ethyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-phenoxyethyl)-3-(1-tetrahydropyran-2-yloxyethyl)-1H-1,2,4-triazol-5-one Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)N1CCOC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

CC(C1=NNC(=O)N1CCOC2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C17H23N3O4/c1-13(24-15-9-5-6-11-23-15)16-18-19-17(21)20(16)10-12-22-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,19,21)