3-[4-(hydroxymethyl)-4-oxidanyl-5-(4-phenylphenoxy)pentyl]-1,2,3-triazin-4-one

Systemtic Name: 3-[4-(hydroxymethyl)-4-oxidanyl-5-(4-phenylphenoxy)pentyl]-1,2,3-triazin-4-one Openeye Name: 3-[4-hydroxy-4-(hydroxymethyl)-5-(4-phenylphenoxy)pentyl]triazin-4-one CAS Name: 3-[4-hydroxy-4-(hydroxymethyl)-5-(4-phenylphenoxy)pentyl]-4-triazinone IUPAC Name: 3-[4-hydroxy-4-(hydroxymethyl)-5-(4-phenylphenoxy)pentyl]triazin-4-one Traditional Name: 3-[4-hydroxy-4-methylol-5-(4-phenylphenoxy)pentyl]triazin-4-one Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCCN3C(=O)C=CN=N3)(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCCN3C(=O)C=CN=N3)(CO)O

InChI

InChI=1S/C21H23N3O4/c25-15-21(27,12-4-14-24-20(26)11-13-22-23-24)16-28-19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-11,13,25,27H,4,12,14-16H2