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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C17H19BrN4O2 MolecularWeight: 391.26236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H19BrN4O2/c18-12-2-3-15-13(10-12)14(11-20-15)16(17(23)24)22-8-6-21(7-9-22)5-1-4-19/h2-3,10-11,16,20H,1,5-9H2,(H,23,24)