2-[4-[3-(6-chloranylquinolin-2-yl)-6-fluoranyl-indol-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(6-chloranylquinolin-2-yl)-6-fluoranyl-indol-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(6-chloro-2-quinolyl)-6-fluoro-indol-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(6-chloro-2-quinolinyl)-6-fluoro-1-indolyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(6-chloroquinolin-2-yl)-6-fluoroindol-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(6-chloro-2-quinolyl)-6-fluoro-indol-1-yl]butyl]isoindoline-1,3-quinone Formula: C29H21ClFN3O2 MolecularWeight: 497.947343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(C4=C3C=C(C=C4)F)C5=NC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(C4=C3C=C(C=C4)F)C5=NC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C29H21ClFN3O2/c30-19-8-12-25-18(15-19)7-11-26(32-25)24-17-33(27-16-20(31)9-10-21(24)27)13-3-4-14-34-28(35)22-5-1-2-6-23(22)29(34)36/h1-2,5-12,15-17H,3-4,13-14H2