2-[[2-(4-chloranylbutyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-chloranylbutyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-chlorobutyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-chlorobutyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-chlorobutyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(4-chlorobutyl)-1-keto-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C(=O)N1CCCCCl)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(C2=CC=CC=C2C(=O)N1CCCCCl)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21ClN2O3/c23-11-5-6-12-24-13-15(16-7-1-2-8-17(16)20(24)26)14-25-21(27)18-9-3-4-10-19(18)22(25)28/h1-4,7-10,15H,5-6,11-14H2