2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-chlorophenyl)-3H-isoquinolin-4-yl]propyl]isoindoline-1,3-quinone Formula: C26H21ClN2O2 MolecularWeight: 428.91014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C=N1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C(C2=CC=CC=C2C=N1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN2O2/c27-20-12-10-19(11-13-20)26(17-28-16-18-6-1-4-9-23(18)26)14-5-15-29-24(30)21-7-2-3-8-22(21)25(29)31/h1-4,6-13,16H,5,14-15,17H2