5-azanyl-1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-4aH-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-4aH-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-7-piperazin-1-yl-4aH-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-7-(1-piperazinyl)-4aH-quinoline-3-carboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-7-piperazin-1-yl-4aH-quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,7-difluoro-4-keto-8-methoxy-7-piperazino-4aH-quinoline-3-carboxylic acid Formula: C18H22F2N4O4 MolecularWeight: 396.388486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(C(=C(C1(N3CCNCC3)F)F)N)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(C(=C(C1(N3CCNCC3)F)F)N)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C18H22F2N4O4/c1-28-16-13-11(14(25)10(17(26)27)8-24(13)9-2-3-9)12(21)15(19)18(16,20)23-6-4-22-5-7-23/h8-9,11,22H,2-7,21H2,1H3,(H,26,27)