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

Systemtic Name: 4-butan-2-yl-2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-4-sec-butyl-1,2,4-triazol-3-one CAS Name: 4-butan-2-yl-2-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 4-butan-2-yl-2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 2-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]-4-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=NN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCC(C)N1C=NN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

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