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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[(3R)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[(3R)-3-methylpiperazino]quinoline-3-carboxylic acid ethyl ester Formula: C20H24FN3O3 MolecularWeight: 373.421263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNC(C3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN[C@@H](C3)C)C4CC4

InChI

InChI=1S/C20H24FN3O3/c1-3-27-20(26)15-11-24(13-4-5-13)17-9-18(16(21)8-14(17)19(15)25)23-7-6-22-12(2)10-23/h8-9,11-13,22H,3-7,10H2,1-2H3/t12-/m1/s1