N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-1-ethyl-6-fluoro-N-homoveratryl-4-keto-quinoline-3-carboxamide Formula: C28H33FN4O5 MolecularWeight: 524.583823

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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)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H33FN4O5/c1-5-31-17-21(28(36)30-9-8-19-6-7-25(37-3)26(14-19)38-4)27(35)20-15-22(29)24(16-23(20)31)33-12-10-32(11-13-33)18(2)34/h6-7,14-17H,5,8-13H2,1-4H3,(H,30,36)