5-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]butan-2-yl]-1,2,4-triazol-3-one

Systemtic Name: 5-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]butan-2-yl]-1,2,4-triazol-3-one Openeye Name: 5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]-1-methyl-propyl]-1,2,4-triazol-3-one CAS Name: 5-[4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]-1,2,4-triazol-3-one IUPAC Name: 5-[4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]-1,2,4-triazol-3-one Traditional Name: 5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]-1-methyl-propyl]-1,2,4-triazol-3-one Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC(C1=CC=CC=C1)O)C2=NC(=O)N=N2

Isomeric SMILES

CC(CCNCC(C1=CC=CC=C1)O)C2=NC(=O)N=N2

InChI

InChI=1S/C14H18N4O2/c1-10(13-16-14(20)18-17-13)7-8-15-9-12(19)11-5-3-2-4-6-11/h2-6,10,12,15,19H,7-9H2,1H3