ethyl 6-fluoranyl-1-[2-fluoranyl-4-(2-methylpiperazin-1-yl)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-[2-fluoranyl-4-(2-methylpiperazin-1-yl)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-[2-fluoro-4-(2-methylpiperazin-1-yl)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-1-[2-fluoro-4-(2-methyl-1-piperazinyl)phenyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-[2-fluoro-4-(2-methylpiperazin-1-yl)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-1-[2-fluoro-4-(2-methylpiperazino)phenyl]-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C28H33F2N5O3 MolecularWeight: 525.590126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C4=C(C=C(C=C4)N5CCNCC5C)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C4=C(C=C(C=C4)N5CCNCC5C)F

InChI

InChI=1S/C28H33F2N5O3/c1-4-38-28(37)21-17-35(24-6-5-19(13-22(24)29)34-8-7-31-16-18(34)2)25-15-26(23(30)14-20(25)27(21)36)33-11-9-32(3)10-12-33/h5-6,13-15,17-18,31H,4,7-12,16H2,1-3H3