7-[4-(2,6-dimethoxyphenyl)carbonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2,6-dimethoxyphenyl)carbonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2,6-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2,6-dimethoxybenzoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H26FN3O6 MolecularWeight: 483.488843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(C=CC=C4OC)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(C=CC=C4OC)OC)F)C(=O)O

InChI

InChI=1S/C25H26FN3O6/c1-4-27-14-16(25(32)33)23(30)15-12-17(26)19(13-18(15)27)28-8-10-29(11-9-28)24(31)22-20(34-2)6-5-7-21(22)35-3/h5-7,12-14H,4,8-11H2,1-3H3,(H,32,33)