[4-(3-oxidanylidenebutyl)-2-piperazin-1-yl-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [4-(3-oxidanylidenebutyl)-2-piperazin-1-yl-quinolin-3-yl] hydrogen carbonate Openeye Name: [4-(3-oxobutyl)-2-piperazin-1-yl-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [4-(3-oxobutyl)-2-(1-piperazinyl)-3-quinolinyl] ester IUPAC Name: [4-(3-oxobutyl)-2-piperazin-1-ylquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-(3-ketobutyl)-2-piperazino-3-quinolyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(C(=NC2=CC=CC=C21)N3CCNCC3)OC(=O)O

Isomeric SMILES

CC(=O)CCC1=C(C(=NC2=CC=CC=C21)N3CCNCC3)OC(=O)O

InChI

InChI=1S/C18H21N3O4/c1-12(22)6-7-14-13-4-2-3-5-15(13)20-17(16(14)25-18(23)24)21-10-8-19-9-11-21/h2-5,19H,6-11H2,1H3,(H,23,24)