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

Systemtic Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-3,4-dioxo-cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[2-(4-methyl-1-piperazinyl)-3,4-dioxo-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[3,4-diketo-2-(4-methylpiperazino)cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C

InChI

InChI=1S/C17H25N3O4/c1-3-24-17(23)12-5-4-6-20(11-12)14-13(15(21)16(14)22)19-9-7-18(2)8-10-19/h12H,3-11H2,1-2H3