5-(4-chlorophenyl)-2-(3-isoquinolin-4-ylpropyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-(4-chlorophenyl)-2-(3-isoquinolin-4-ylpropyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-(4-chlorophenyl)-2-[3-(4-isoquinolyl)propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-[3-(4-isoquinolinyl)propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-(4-chlorophenyl)-2-(3-isoquinolin-4-ylpropyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-(4-chlorophenyl)-2-[3-(4-isoquinolyl)propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC2C1C(=O)N(C2=O)CCCC3=CN=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C(C=CC2C1C(=O)N(C2=O)CCCC3=CN=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN2O2/c27-21-10-7-17(8-11-21)18-9-12-23-24(14-18)26(31)29(25(23)30)13-3-5-20-16-28-15-19-4-1-2-6-22(19)20/h1-2,4,6-12,15-16,18,23-24H,3,5,13-14H2