7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-N-benzyl-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-N-benzyl-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxamide Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H27FN4O3/c1-3-28-16-20(25(33)27-15-18-7-5-4-6-8-18)24(32)19-13-21(26)23(14-22(19)28)30-11-9-29(10-12-30)17(2)31/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,27,33)