5-azanyl-1-cyclopropyl-8-fluoranyl-6-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-8-fluoranyl-6-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-8-fluoro-6-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-8-fluoro-6-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-8-fluoro-6-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-8-fluoro-4-keto-6-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4CC4)N

Isomeric SMILES

CC1=C(C2=C(C(=C1N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4CC4)N

InChI

InChI=1S/C18H21FN4O3/c1-9-14(20)12-16(13(19)15(9)22-6-4-21-5-7-22)23(10-2-3-10)8-11(17(12)24)18(25)26/h8,10,21H,2-7,20H2,1H3,(H,25,26)