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

Systemtic Name: 4-butyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)isoindole-1,3-dione Openeye Name: 4-butyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)isoindoline-1,3-dione CAS Name: 4-butyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)isoindole-1,3-dione IUPAC Name: 4-butyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)isoindole-1,3-dione Traditional Name: 4-butyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)isoindoline-1,3-quinone Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N2O2/c1-2-3-8-16-18(10-9-17-19(16)21(25)22-20(17)24)23-12-11-14-6-4-5-7-15(14)13-23/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,22,24,25)