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

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(4-pyridylmethyl)quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-1-ethyl-6-fluoro-4-keto-N-(4-pyridylmethyl)quinoline-3-carboxamide Formula: C24H26FN5O3 MolecularWeight: 451.493343

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN5O3/c1-3-28-15-19(24(33)27-14-17-4-6-26-7-5-17)23(32)18-12-20(25)22(13-21(18)28)30-10-8-29(9-11-30)16(2)31/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,27,33)