2-phenyl-3-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid Openeye Name: 3-[(4-benzoylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-benzoyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-benzoylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-benzoylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3/c32-27(21-11-5-2-6-12-21)31-17-15-30(16-18-31)19-23-25(28(33)34)22-13-7-8-14-24(22)29-26(23)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,33,34)