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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-quinolin-5-yl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-quinolin-5-yl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(5-quinolyl)-1H-indole-4-carboxylic acid Formula: C22H20ClN3O2 MolecularWeight: 393.8661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC=NC2=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC(=C2C=CC=NC2=C1)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C22H20ClN3O2/c23-17-10-9-16(22(27)28)19-15(5-1-2-11-24)20(26-21(17)19)14-6-3-8-18-13(14)7-4-12-25-18/h3-4,6-10,12,26H,1-2,5,11,24H2,(H,27,28)