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

Systemtic Name: ethyl 1-[3,4-bis(oxidanylidene)-2-(4-pyridin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3,4-dioxo-2-[4-(2-pyridyl)piperazin-1-yl]cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[3,4-dioxo-2-[4-(2-pyridinyl)-1-piperazinyl]-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4-dioxo-2-(4-pyridin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[3,4-diketo-2-[4-(2-pyridyl)piperazino]cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N4O4/c1-2-29-21(28)15-6-5-9-25(14-15)18-17(19(26)20(18)27)24-12-10-23(11-13-24)16-7-3-4-8-22-16/h3-4,7-8,15H,2,5-6,9-14H2,1H3