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

Systemtic Name: azanyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: amino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid amino ester IUPAC Name: amino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid amino ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c19-27-16(25)6-9-20-17(26)14-2-4-15(5-3-14)23-10-12-24(13-11-23)18-21-7-1-8-22-18/h1-5,7-8H,6,9-13,19H2,(H,20,26)