8-bromanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-bromanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21BrFN3O3 MolecularWeight: 438.290743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2Br)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2Br)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H21BrFN3O3/c1-9-6-23(7-10(2)22-9)17-14(21)5-12-16(15(17)20)24(11-3-4-11)8-13(18(12)25)19(26)27/h5,8-11,22H,3-4,6-7H2,1-2H3,(H,26,27)