2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazino]acetic acid Formula: C23H22BrN5O2 MolecularWeight: 480.35708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C23H22BrN5O2/c1-14-22(27-20-5-3-2-4-19(20)26-14)29-10-8-28(9-11-29)21(23(30)31)17-13-25-18-7-6-15(24)12-16(17)18/h2-7,12-13,21,25H,8-11H2,1H3,(H,30,31)