4-[2-(5-bromanylquinolin-8-yl)-4,6-bis(chloranyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(5-bromanylquinolin-8-yl)-4,6-bis(chloranyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(5-bromo-8-quinolyl)-4,6-dichloro-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(5-bromo-8-quinolinyl)-4,6-dichloro-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(5-bromoquinolin-8-yl)-4,6-dichloro-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(5-bromo-8-quinolyl)-4,6-dichloro-1H-indol-3-yl]butylamine Formula: C21H18BrCl2N3 MolecularWeight: 463.19772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(C=C(C=C4N3)Cl)Cl)CCCCN)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(C=C(C=C4N3)Cl)Cl)CCCCN)Br

InChI

InChI=1S/C21H18BrCl2N3/c22-16-7-6-15(20-13(16)5-3-9-26-20)21-14(4-1-2-8-25)19-17(24)10-12(23)11-18(19)27-21/h3,5-7,9-11,27H,1-2,4,8,25H2