azanyl 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: azanyl 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: amino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid amino ester IUPAC Name: amino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid amino ester Formula: C18H21FN6O3 MolecularWeight: 388.396143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)ON)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)ON)F)C3=NC=CC=N3

InChI

InChI=1S/C18H21FN6O3/c19-14-12-13(17(27)21-7-4-16(26)28-20)2-3-15(14)24-8-10-25(11-9-24)18-22-5-1-6-23-18/h1-3,5-6,12H,4,7-11,20H2,(H,21,27)