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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-naphthalen-1-yl-pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(1-naphthyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(1-naphthalenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-naphthalen-1-ylpyrrolidine-2,5-dione Traditional Name: 1-(1-naphthyl)-3-(4-piperonylpiperazino)pyrrolidine-2,5-quinone Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H25N3O4/c30-25-15-22(26(31)29(25)21-7-3-5-19-4-1-2-6-20(19)21)28-12-10-27(11-13-28)16-18-8-9-23-24(14-18)33-17-32-23/h1-9,14,22H,10-13,15-17H2