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

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H19N5O2/c21-12-14-4-3-7-22-19(14)25-10-8-24(9-11-25)18(20(26)27)16-13-23-17-6-2-1-5-15(16)17/h1-7,13,18,23H,8-11H2,(H,26,27)