2-[3-[4-(2,4-dichlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2,4-dichlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2,4-dichlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[4-(2,4-dichlorophenyl)-1-piperazinyl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-[4-(2,4-dichlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-[4-(2,4-dichlorophenyl)piperazino]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H25Cl2N3O2 MolecularWeight: 422.3481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O2/c22-15-6-7-19(18(23)14-15)25-12-10-24(11-13-25)8-3-9-26-20(27)16-4-1-2-5-17(16)21(26)28/h1-2,6-7,14,16-17H,3-5,8-13H2