2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propylamino]cinchoninic acid Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=NC3=CC=CC=C3C(=C2)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCCNC2=NC3=CC=CC=C3C(=C2)C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2/c24-17-6-8-18(9-7-17)28-14-12-27(13-15-28)11-3-10-25-22-16-20(23(29)30)19-4-1-2-5-21(19)26-22/h1-2,4-9,16H,3,10-15H2,(H,25,26)(H,29,30)