1-ethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCNCC3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCNCC3)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-2-18-10-13(16(21)22)15(20)12-4-3-11(9-14(12)18)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3,(H,21,22)