butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: butyl 4-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 4-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H26N4O3/c1-2-3-16-28-20(26)17-7-9-18(10-8-17)23-21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11H,2-3,12-16H2,1H3,(H,23,27)