ethyl 1-ethyl-7-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-7-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-7-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-7-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-7-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-7-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CN(N=C4C)CC)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CN(N=C4C)CC)F)C(=O)OCC

InChI

InChI=1S/C25H32FN5O3/c1-5-29-16-20(25(33)34-7-3)24(32)19-12-21(26)23(13-22(19)29)30-10-8-28(9-11-30)14-18-15-31(6-2)27-17(18)4/h12-13,15-16H,5-11,14H2,1-4H3