ethyl 4-[2-[3-oxidanylidene-1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoyl]piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-oxidanylidene-1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoyl]piperazin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-oxo-1-[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]piperazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[3-oxo-1-[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-piperazinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-keto-1-[2-[4-(2-pyridyl)piperazino]acetyl]piperazin-2-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H32N6O5 MolecularWeight: 508.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H32N6O5/c1-2-37-26(36)19-6-8-20(9-7-19)29-23(33)17-21-25(35)28-11-12-32(21)24(34)18-30-13-15-31(16-14-30)22-5-3-4-10-27-22/h3-10,21H,2,11-18H2,1H3,(H,28,35)(H,29,33)