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

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridinyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromopyridin-3-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C18H17BrClN3O2 MolecularWeight: 422.70348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN)Cl

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN)Cl

InChI

InChI=1S/C18H17BrClN3O2/c19-11-7-10(8-22-9-11)16-12(3-1-2-6-21)15-13(18(24)25)4-5-14(20)17(15)23-16/h4-5,7-9,23H,1-3,6,21H2,(H,24,25)