butyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzoic acid butyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O3/c1-2-3-15-29-20(28)17-5-7-18(8-6-17)24-19(27)16-25-11-13-26(14-12-25)21-22-9-4-10-23-21/h4-10H,2-3,11-16H2,1H3,(H,24,27)