ethyl 5-azanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 5-azanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C(=C2C1=O)N)F)N3CC(NC(C3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C(=C2C1=O)N)F)N3CC(NC(C3)C)C)C4CC4

InChI

InChI=1S/C21H27FN4O3/c1-4-29-21(28)14-10-26(13-5-6-13)15-7-16(18(22)19(23)17(15)20(14)27)25-8-11(2)24-12(3)9-25/h7,10-13,24H,4-6,8-9,23H2,1-3H3