4H-cinnolin-3-one; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 4H-cinnolin-3-one; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid Openeye Name: 4H-cinnolin-3-one; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid CAS Name: 4H-cinnolin-3-one; 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 4H-cinnolin-3-one; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid Traditional Name: 4H-cinnolin-3-one; 1-ethyl-6-fluoro-4-keto-7-piperazino-1,8-naphthyridine-3-carboxylic acid Formula: C23H23FN6O4 MolecularWeight: 466.464923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.C1C2=CC=CC=C2N=NC1=O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.C1C2=CC=CC=C2N=NC1=O

InChI

InChI=1S/C15H17FN4O3.C8H6N2O/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;11-8-5-6-3-1-2-4-7(6)9-10-8/h7-8,17H,2-6H2,1H3,(H,22,23);1-4H,5H2