6-bromanyl-1-ethyl-4-oxidanylidene-7-piperazin-1-yl-2,3-dihydroquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-ethyl-4-oxidanylidene-7-piperazin-1-yl-2,3-dihydroquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-ethyl-4-oxo-7-piperazin-1-yl-2,3-dihydroquinoline-3-carboxylic acid CAS Name: 6-bromo-1-ethyl-4-oxo-7-(1-piperazinyl)-2,3-dihydroquinoline-3-carboxylic acid IUPAC Name: 6-bromo-1-ethyl-4-oxo-7-piperazin-1-yl-2,3-dihydroquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-ethyl-4-keto-7-piperazino-2,3-dihydroquinoline-3-carboxylic acid Formula: C16H20BrN3O3 MolecularWeight: 382.2523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(=O)C2=CC(=C(C=C21)N3CCNCC3)Br)C(=O)O

Isomeric SMILES

CCN1CC(C(=O)C2=CC(=C(C=C21)N3CCNCC3)Br)C(=O)O

InChI

InChI=1S/C16H20BrN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-8,11,18H,2-6,9H2,1H3,(H,22,23)