ethyl 4-[2,5-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[4-(2-pyrimidyl)piperazino]pyrrolidino]benzoic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O4/c1-2-30-20(29)15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-10-12-25(13-11-24)21-22-8-3-9-23-21/h3-9,17H,2,10-14H2,1H3