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

Systemtic Name: 7-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-veratroylpiperazino)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=CC(=C(C=C4)OC)OC)F)C(=O)O

Isomeric SMILES

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

InChI

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