2-butyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)isoindole-1,3-dione

Systemtic Name: 2-butyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)isoindole-1,3-dione Openeye Name: 2-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindoline-1,3-dione CAS Name: 2-butyl-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O3/c1-2-3-11-24-21(26)18-9-8-16(13-19(18)22(24)27)20(25)23-12-10-15-6-4-5-7-17(15)14-23/h4-9,13H,2-3,10-12,14H2,1H3