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

Systemtic Name: 5-azanyl-1-cyclopropyl-7-(1,4-diazepan-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-(1,4-diazepan-1-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-(1,4-diazepan-1-yl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-(1,4-diazepan-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-(1,4-diazepan-1-yl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H20F2N4O3 MolecularWeight: 378.373206

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

C1CNCCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C18H20F2N4O3/c19-12-14(21)11-15(13(20)16(12)23-6-1-4-22-5-7-23)24(9-2-3-9)8-10(17(11)25)18(26)27/h8-9,22H,1-7,21H2,(H,26,27)