ethyl 1-(2-cyanoethyl)-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(2-cyanoethyl)-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-(2-cyanoethyl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(2-cyanoethyl)-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-cyanoethyl)-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-tert-butoxycarbonylpiperazino)-1-(2-cyanoethyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C24H29FN4O5 MolecularWeight: 472.509263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OC(C)(C)C)CCC#N

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OC(C)(C)C)CCC#N

InChI

InChI=1S/C24H29FN4O5/c1-5-33-22(31)17-15-29(8-6-7-26)19-14-20(18(25)13-16(19)21(17)30)27-9-11-28(12-10-27)23(32)34-24(2,3)4/h13-15H,5-6,8-12H2,1-4H3