2-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[[4-(2-pyridyl)piperazino]methyl]cinchoninic acid Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=N5

InChI

InChI=1S/C26H24N4O2/c31-26(32)24-20-10-4-5-11-22(20)28-25(19-8-2-1-3-9-19)21(24)18-29-14-16-30(17-15-29)23-12-6-7-13-27-23/h1-13H,14-18H2,(H,31,32)