2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazino]acetic acid Formula: C23H22BrN5O2 MolecularWeight: 480.35708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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