3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolinyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C22H19BrClN3O2 MolecularWeight: 472.76216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClN3O2/c23-16-8-6-15(19-12(16)5-3-11-26-19)20-13(4-1-2-10-25)18-14(22(28)29)7-9-17(24)21(18)27-20/h3,5-9,11,27H,1-2,4,10,25H2,(H,28,29)