3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione (Q27209243)

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

11 October 2016

chemical formula

C₂₂H₂₃N₃O₄

1 reference

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

11 October 2016

canonical SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC=C5

1 reference

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

InChI=1S/C22H23N3O4/c26-21-13-18(22(27)25(21)17-4-2-1-3-5-17)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)29-15-28-19/h1-7,12,18H,8-11,13-15H2

11 October 2016

Identifiers

InChI

1 reference

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

RYOSPKVDIDJLCV-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenyl-2,5-pyrrolidinedione (English)

11 October 2016

2 references

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (English)

matched by identifier from

11 October 2016

InChIKey

RYOSPKVDIDJLCV-UHFFFAOYSA-N

ChEBI ID

121006

mapping relation type

2 references

3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H23N3O4/c26-21-13-18(22(27)25(21)17-4-2-1-3-5-17)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)29-15-28-19/h1-7,12,18H,8-11,13-15H2

1 reference