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

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(3-phenylpropyl)quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(3-phenylpropyl)quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-N-(3-phenylpropyl)-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(3-phenylpropyl)quinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-1-ethyl-6-fluoro-4-keto-N-(3-phenylpropyl)quinoline-3-carboxamide Formula: C27H31FN4O3 MolecularWeight: 478.558443

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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)NCCCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H31FN4O3/c1-3-30-18-22(27(35)29-11-7-10-20-8-5-4-6-9-20)26(34)21-16-23(28)25(17-24(21)30)32-14-12-31(13-15-32)19(2)33/h4-6,8-9,16-18H,3,7,10-15H2,1-2H3,(H,29,35)