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

Systemtic Name: propan-2-yl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzoic acid isopropyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-15(2)28-19(27)16-4-6-17(7-5-16)23-18(26)14-24-10-12-25(13-11-24)20-21-8-3-9-22-20/h3-9,15H,10-14H2,1-2H3,(H,23,26)