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

Systemtic Name: 4-[2-oxidanyl-1-phenyl-1-piperazin-1-yl-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-propan-2-yl-1,2,4-triazol-3-one Openeye Name: 4-[1-hydroxy-1-[phenyl-piperazin-1-yl-(1,2,4-triazol-1-yl)methyl]propyl]-2-isopropyl-1,2,4-triazol-3-one CAS Name: 4-[2-hydroxy-1-phenyl-1-(1-piperazinyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-propan-2-yl-1,2,4-triazol-3-one IUPAC Name: 4-[2-hydroxy-1-phenyl-1-piperazin-1-yl-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-propan-2-yl-1,2,4-triazol-3-one Traditional Name: 4-[1-hydroxy-1-[phenyl-piperazino-(1,2,4-triazol-1-yl)methyl]propyl]-2-isopropyl-1,2,4-triazol-3-one Formula: C21H30N8O2 MolecularWeight: 426.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)(N2CCNCC2)N3C=NC=N3)(N4C=NN(C4=O)C(C)C)O

Isomeric SMILES

CCC(C(C1=CC=CC=C1)(N2CCNCC2)N3C=NC=N3)(N4C=NN(C4=O)C(C)C)O

InChI

InChI=1S/C21H30N8O2/c1-4-20(31,27-16-25-29(17(2)3)19(27)30)21(28-15-23-14-24-28,18-8-6-5-7-9-18)26-12-10-22-11-13-26/h5-9,14-17,22,31H,4,10-13H2,1-3H3