2-(3-butanoyl-4-chloranyl-quinolin-8-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-butanoyl-4-chloranyl-quinolin-8-yl)isoindole-1,3-dione Openeye Name: 2-(3-butanoyl-4-chloro-8-quinolyl)isoindoline-1,3-dione CAS Name: 2-[4-chloro-3-(1-oxobutyl)-8-quinolinyl]isoindole-1,3-dione IUPAC Name: 2-(3-butanoyl-4-chloroquinolin-8-yl)isoindole-1,3-dione Traditional Name: 2-(3-butyryl-4-chloro-8-quinolyl)isoindoline-1,3-quinone Formula: C21H15ClN2O3 MolecularWeight: 378.8084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1Cl)C=CC=C2N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1Cl)C=CC=C2N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15ClN2O3/c1-2-6-17(25)15-11-23-19-14(18(15)22)9-5-10-16(19)24-20(26)12-7-3-4-8-13(12)21(24)27/h3-5,7-11H,2,6H2,1H3