1-cyclopropyl-6-fluoranyl-7-[4-(1-methoxypropyl)piperazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(1-methoxypropyl)piperazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(1-methoxypropyl)piperazin-2-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(1-methoxypropyl)-2-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(1-methoxypropyl)piperazin-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(1-methoxypropyl)piperazin-2-yl]quinoline-3-carboxylic acid Formula: C21H26FN3O4 MolecularWeight: 403.447243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCNC(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

Isomeric SMILES

CCC(N1CCNC(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

InChI

InChI=1S/C21H26FN3O4/c1-3-19(29-2)24-7-6-23-17(11-24)13-9-18-14(8-16(13)22)20(26)15(21(27)28)10-25(18)12-4-5-12/h8-10,12,17,19,23H,3-7,11H2,1-2H3,(H,27,28)