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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-cyano-2-pyridyl)piperazino]acetic acid Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C20H18BrN5O2/c21-14-3-4-17-15(10-14)16(12-24-17)18(20(27)28)25-6-8-26(9-7-25)19-13(11-22)2-1-5-23-19/h1-5,10,12,18,24H,6-9H2,(H,27,28)