1-[(2-azanylpyridin-4-yl)methyl]-5-ethynyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 1-[(2-azanylpyridin-4-yl)methyl]-5-ethynyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[(2-amino-4-pyridyl)methyl]-5-ethynyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[(2-amino-4-pyridinyl)methyl]-5-ethynyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(2-aminopyridin-4-yl)methyl]-5-ethynyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-[(2-amino-4-pyridyl)methyl]-5-ethynyl-3-(2-keto-1H-pyridin-3-yl)indole-2-carboxylic acid Formula: C22H16N4O3 MolecularWeight: 384.38744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=NC=C4)N

Isomeric SMILES

C#CC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=NC=C4)N

InChI

InChI=1S/C22H16N4O3/c1-2-13-5-6-17-16(10-13)19(15-4-3-8-25-21(15)27)20(22(28)29)26(17)12-14-7-9-24-18(23)11-14/h1,3-11H,12H2,(H2,23,24)(H,25,27)(H,28,29)