6-fluoranyl-1-(3-morpholin-4-ylphenyl)-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(3-morpholin-4-ylphenyl)-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-morpholinophenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[3-(4-morpholinyl)phenyl]-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-morpholin-4-ylphenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(3-morpholinophenyl)-7-(4-phenylpiperazino)quinoline-3-carboxylic acid Formula: C30H29FN4O4 MolecularWeight: 528.574063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC(=CC=C5)N6CCOCC6)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC(=CC=C5)N6CCOCC6)F

InChI

InChI=1S/C30H29FN4O4/c31-26-18-24-27(19-28(26)34-11-9-32(10-12-34)21-5-2-1-3-6-21)35(20-25(29(24)36)30(37)38)23-8-4-7-22(17-23)33-13-15-39-16-14-33/h1-8,17-20H,9-16H2,(H,37,38)