5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[(4-methyl-1-piperazinyl)amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-[(4-methylpiperazino)amino]quinoline-3-carboxylic acid Formula: C18H21F2N5O3 MolecularWeight: 393.387846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)NC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C18H21F2N5O3/c1-23-4-6-24(7-5-23)22-15-12(19)14(21)11-16(13(15)20)25(9-2-3-9)8-10(17(11)26)18(27)28/h8-9,22H,2-7,21H2,1H3,(H,27,28)