butyl 2-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-(6-methyl-2-pyridyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(6-methylpyridin-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(6-methyl-2-pyridyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC(=N3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC(=N3)C

InChI

InChI=1S/C22H28N4O3/c1-3-4-16-29-21(27)18-9-5-6-10-19(18)24-22(28)26-14-12-25(13-15-26)20-11-7-8-17(2)23-20/h5-11H,3-4,12-16H2,1-2H3,(H,24,28)