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

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-(2-phenyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazino]-2-(2-phenyl-1H-indol-3-yl)acetic acid Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H23N5O2/c27-17-19-9-6-12-28-25(19)31-15-13-30(14-16-31)24(26(32)33)22-20-10-4-5-11-21(20)29-23(22)18-7-2-1-3-8-18/h1-12,24,29H,13-16H2,(H,32,33)