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

Systemtic Name: ethyl 1-[3,4-bis(oxidanylidene)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3,4-dioxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[3,4-dioxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4-dioxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[3,4-diketo-2-[4-(2-pyrimidyl)piperazino]cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-2-29-19(28)14-5-3-8-25(13-14)16-15(17(26)18(16)27)23-9-11-24(12-10-23)20-21-6-4-7-22-20/h4,6-7,14H,2-3,5,8-13H2,1H3