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

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-1-(phenylmethyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-benzyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-1-(phenylmethyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-benzyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-benzyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

InChI

InChI=1S/C21H19F2N3O3/c22-16-10-14-18(17(23)19(16)25-8-6-24-7-9-25)26(11-13-4-2-1-3-5-13)12-15(20(14)27)21(28)29/h1-5,10,12,24H,6-9,11H2,(H,28,29)