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

Systemtic Name: 2-(4-chloranyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c18-13-3-1-4-14-15(13)12(11-20-14)16(17(23)24)22-9-7-21(8-10-22)6-2-5-19/h1,3-4,11,16,20H,2,6-10H2,(H,23,24)