2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[3-(2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-yl)propyl]isoindoline-1,3-quinone hydrochloride Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(C1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CN1CC2=CC=CC=C2C(C1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H26N2O2.ClH/c1-28-18-20-10-5-8-15-24(20)27(19-28,21-11-3-2-4-12-21)16-9-17-29-25(30)22-13-6-7-14-23(22)26(29)31;/h2-8,10-15H,9,16-19H2,1H3;1H