2-[2,5-bis(oxidanylidene)-4-(phenylmethyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-4-(phenylmethyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-(4-benzyl-2,5-dioxo-piperazin-1-yl)pyridine-3-carboxylic acid CAS Name: 2-[2,5-dioxo-4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-benzyl-2,5-dioxopiperazin-1-yl)pyridine-3-carboxylic acid Traditional Name: 2-(4-benzyl-2,5-diketo-piperazino)nicotinic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC(=O)N1CC2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(=O)N(CC(=O)N1CC2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H15N3O4/c21-14-11-20(16-13(17(23)24)7-4-8-18-16)15(22)10-19(14)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,23,24)