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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(E)-4-piperazin-1-ylbut-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-4-piperazin-1-ylbut-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-4-(1-piperazinyl)but-2-enyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-4-piperazin-1-ylbut-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[(E)-4-piperazinobut-2-enyl]piperazino]quinoline-3-carboxylic acid Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC=CCN5CCNCC5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C/C=C/CN5CCNCC5)F)C(=O)O

InChI

InChI=1S/C25H32FN5O3/c26-21-15-19-22(31(18-3-4-18)17-20(24(19)32)25(33)34)16-23(21)30-13-11-29(12-14-30)8-2-1-7-28-9-5-27-6-10-28/h1-2,15-18,27H,3-14H2,(H,33,34)/b2-1+