4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propyl-isoindole-1,3-dione

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propyl-isoindole-1,3-dione Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propyl-isoindoline-1,3-dione CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propylisoindole-1,3-dione IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propylisoindole-1,3-dione Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propyl-isoindoline-1,3-quinone Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O2/c1-2-5-14-8-9-16-17(20(24)21-19(16)23)18(14)22-11-10-13-6-3-4-7-15(13)12-22/h3-4,6-9H,2,5,10-12H2,1H3,(H,21,23,24)