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

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(4-morpholin-4-ylphenyl)-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-(4-morpholinophenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-[4-(4-morpholinyl)phenyl]-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(4-morpholin-4-ylphenyl)-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-4-keto-1-(4-morpholinophenyl)-7-(4-phenylpiperazino)quinoline-3-carboxylic acid Formula: C30H28ClFN4O4 MolecularWeight: 563.019123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)N6CCOCC6)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)N6CCOCC6)F

InChI

InChI=1S/C30H28ClFN4O4/c31-26-27-23(18-25(32)28(26)35-12-10-33(11-13-35)20-4-2-1-3-5-20)29(37)24(30(38)39)19-36(27)22-8-6-21(7-9-22)34-14-16-40-17-15-34/h1-9,18-19H,10-17H2,(H,38,39)