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

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O2/c18-12-2-3-13-14(11-20-15(13)10-12)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)