1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(3,4,5-trimethoxybenzoyl)piperazino]quinoline-3-carboxylic acid Formula: C26H28FN3O7 MolecularWeight: 513.514823

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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)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)OC)F)C(=O)O

InChI

InChI=1S/C26H28FN3O7/c1-5-28-14-17(26(33)34)23(31)16-12-18(27)20(13-19(16)28)29-6-8-30(9-7-29)25(32)15-10-21(35-2)24(37-4)22(11-15)36-3/h10-14H,5-9H2,1-4H3,(H,33,34)