6-fluoranyl-1-(2-morpholin-4-ylphenyl)-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-morpholin-4-ylphenyl)-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-morpholinophenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-(4-morpholinyl)phenyl]-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-morpholin-4-ylphenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(2-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=C5N6CCOCC6)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=CC=C5N6CCOCC6)F

InChI

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