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

Systemtic Name: ethyl 1-ethyl-7-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-7-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-7-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-7-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-7-[4-[(1-ethylpyrazol-4-yl)methyl]piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C24H30FN5O3 MolecularWeight: 455.525103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CN(N=C4)CC)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CN(N=C4)CC)F)C(=O)OCC

InChI

InChI=1S/C24H30FN5O3/c1-4-28-16-19(24(32)33-6-3)23(31)18-11-20(25)22(12-21(18)28)29-9-7-27(8-10-29)14-17-13-26-30(5-2)15-17/h11-13,15-16H,4-10,14H2,1-3H3