ethyl 4-[3,4-bis(oxidanylidene)-2-(pyridin-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,4-bis(oxidanylidene)-2-(pyridin-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3,4-dioxo-2-(2-pyridylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate CAS Name: 4-[3,4-dioxo-2-(2-pyridinylmethylamino)-1-cyclobutenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,4-dioxo-2-(pyridin-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate Traditional Name: 4-[3,4-diketo-2-(2-pyridylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3

InChI

InChI=1S/C17H20N4O4/c1-2-25-17(24)21-9-7-20(8-10-21)14-13(15(22)16(14)23)19-11-12-5-3-4-6-18-12/h3-6,19H,2,7-11H2,1H3