ethyl 2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 2-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O3/c1-2-26-16(24)14-6-3-4-7-15(14)21-18(25)23-12-10-22(11-13-23)17-19-8-5-9-20-17/h3-9H,2,10-13H2,1H3,(H,21,25)