4-[3-[3,6-bis(oxidanylidene)-5-(pyridin-4-ylmethylcarbamoyl)-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[3,6-bis(oxidanylidene)-5-(pyridin-4-ylmethylcarbamoyl)-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[3,6-dioxo-5-(4-pyridylmethylcarbamoyl)-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[3,6-dioxo-5-[oxo-(pyridin-4-ylmethylamino)methyl]-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[3,6-dioxo-5-(pyridin-4-ylmethylcarbamoyl)-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[3,6-diketo-5-(4-pyridylmethylcarbamoyl)-2H-pyrazin-1-yl]prop-2-ynyl]benzoic acid Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(C(=O)N1C#CCC2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1C(=O)N=C(C(=O)N1C#CCC2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H16N4O5/c26-17-13-25(11-1-2-14-3-5-16(6-4-14)21(29)30)20(28)18(24-17)19(27)23-12-15-7-9-22-10-8-15/h3-10H,2,12-13H2,(H,23,27)(H,29,30)