2-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-5-methyl-4-[4-[4-(5-oxidanylpyrimidin-2-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-5-methyl-4-[4-[4-(5-oxidanylpyrimidin-2-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]phenyl]-5-methyl-1,2,4-triazol-3-one CAS Name: 2-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-[4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl]phenyl]-5-methyl-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]phenyl]-5-methyl-1,2,4-triazol-3-one Traditional Name: 2-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-[4-[4-(5-hydroxypyrimidin-2-yl)piperazino]phenyl]-5-methyl-1,2,4-triazol-3-one Formula: C25H26ClN7O3 MolecularWeight: 507.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)O)CC(C5=CC=C(C=C5)Cl)O

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)O)CC(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C25H26ClN7O3/c1-17-29-32(16-23(35)18-2-4-19(26)5-3-18)25(36)33(17)21-8-6-20(7-9-21)30-10-12-31(13-11-30)24-27-14-22(34)15-28-24/h2-9,14-15,23,34-35H,10-13,16H2,1H3