Chemical Component Summary

Name(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
Identifiers(3S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-oxidanyl-3H-indol-2-one
FormulaC21 H23 N3 O4
Molecular Weight381.425
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O
InChIInChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1
InChIKeyDHRNQNFHGGYALM-FQEVSTJZSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count55
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137347997