5-azanyl-7-(4-azanyl-3,3-dimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(4-azanyl-3,3-dimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(4-amino-3,3-dimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(4-amino-3,3-dimethyl-1-piperidinyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(4-amino-3,3-dimethyl-piperidino)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H27FN4O3 MolecularWeight: 402.462483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(C(C4)(C)C)N

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(C(C4)(C)C)N

InChI

InChI=1S/C21H27FN4O3/c1-10-17-14(19(27)12(20(28)29)8-26(17)11-4-5-11)16(24)15(22)18(10)25-7-6-13(23)21(2,3)9-25/h8,11,13H,4-7,9,23-24H2,1-3H3,(H,28,29)