ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-methylolpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C20H23F2N3O4 MolecularWeight: 407.411126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F2N3O4/c1-2-29-20(28)14-9-25(12-3-4-12)17-13(19(14)27)7-15(21)18(16(17)22)24-6-5-23-11(8-24)10-26/h7,9,11-12,23,26H,2-6,8,10H2,1H3