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

Systemtic Name: ethyl 1-[3,4-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]piperidine-4-carboxylate CAS Name: 1-[3,4-dioxo-2-(4-phenyl-1-piperazinyl)-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]piperidine-4-carboxylate Traditional Name: 1-[3,4-diketo-2-(4-phenylpiperazino)cyclobuten-1-yl]isonipecotic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4/c1-2-29-22(28)16-8-10-24(11-9-16)18-19(21(27)20(18)26)25-14-12-23(13-15-25)17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3