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

Systemtic Name: 6-cyano-1-ethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-cyano-1-ethyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-cyano-1-ethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-cyano-1-ethyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-2-20-10-13(17(23)24)16(22)12-7-11(9-18)14(8-15(12)20)21-5-3-19-4-6-21/h7-8,10,19H,2-6H2,1H3,(H,23,24)