ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-1-(phenylmethyl)-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-1-(phenylmethyl)-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 6,8-difluoro-4-oxo-1-(phenylmethyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-benzyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C23H23F2N3O3 MolecularWeight: 427.443826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H23F2N3O3/c1-2-31-23(30)17-14-28(13-15-6-4-3-5-7-15)20-16(22(17)29)12-18(24)21(19(20)25)27-10-8-26-9-11-27/h3-7,12,14,26H,2,8-11,13H2,1H3