2-butan-2-yl-4-[2-[2-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-[2-[2-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[2-[2-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[2-[2-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[2-[2-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[2-[2-(4-hydroxyphenyl)piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=CC=C2N3CCNCC3C4=CC=C(C=C4)O

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=CC=C2N3CCNCC3C4=CC=C(C=C4)O

InChI

InChI=1S/C22H27N5O2/c1-3-16(2)27-22(29)26(15-24-27)20-7-5-4-6-19(20)25-13-12-23-14-21(25)17-8-10-18(28)11-9-17/h4-11,15-16,21,23,28H,3,12-14H2,1-2H3