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

Systemtic Name: ethyl 4-[2-[3-oxidanylidene-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]piperazin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[3-oxo-1-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-piperazinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-keto-1-[2-[4-(2-pyrimidyl)piperazino]acetyl]piperazin-2-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H31N7O5 MolecularWeight: 509.55754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O5/c1-2-37-24(36)18-4-6-19(7-5-18)29-21(33)16-20-23(35)26-10-11-32(20)22(34)17-30-12-14-31(15-13-30)25-27-8-3-9-28-25/h3-9,20H,2,10-17H2,1H3,(H,26,35)(H,29,33)