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

Systemtic Name: 2-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[[4-(2-pyrimidyl)piperazino]methyl]cinchoninic acid Formula: C25H23N5O2 MolecularWeight: 425.48242

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O2/c31-24(32)22-19-9-4-5-10-21(19)28-23(18-7-2-1-3-8-18)20(22)17-29-13-15-30(16-14-29)25-26-11-6-12-27-25/h1-12H,13-17H2,(H,31,32)