methyl 3-[(4-pyrazin-2-ylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-pyrazin-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-pyrazin-2-ylpiperazine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-pyrazin-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(4-pyrazin-2-ylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C17H19N5O3/c1-25-16(23)13-3-2-4-14(11-13)20-17(24)22-9-7-21(8-10-22)15-12-18-5-6-19-15/h2-6,11-12H,7-10H2,1H3,(H,20,24)