1-(1-adamantyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(1-adamantyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(1-adamantyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(1-adamantyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(1-adamantyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C24H28FN3O3 MolecularWeight: 425.495823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C45CC6CC(C4)CC(C6)C5)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C45CC6CC(C4)CC(C6)C5)F

InChI

InChI=1S/C24H28FN3O3/c25-19-8-17-20(9-21(19)27-3-1-26-2-4-27)28(13-18(22(17)29)23(30)31)24-10-14-5-15(11-24)7-16(6-14)12-24/h8-9,13-16,26H,1-7,10-12H2,(H,30,31)