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

Systemtic Name: propan-2-yl 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]benzoic acid isopropyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-16(2)28-21(27)17-6-8-18(9-7-17)23-20(26)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,16H,11-15H2,1-2H3,(H,23,26)