3-[[4-[2-(1H-imidazol-5-yl)ethanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(1H-imidazol-5-yl)ethanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(1H-imidazol-5-yl)-1-oxoethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(1H-imidazol-5-yl)acetyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C26H25N5O3 MolecularWeight: 455.5084

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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)CC5=CN=CN5

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=O)CC5=CN=CN5

InChI

InChI=1S/C26H25N5O3/c32-23(14-19-15-27-17-28-19)31-12-10-30(11-13-31)16-21-24(26(33)34)20-8-4-5-9-22(20)29-25(21)18-6-2-1-3-7-18/h1-9,15,17H,10-14,16H2,(H,27,28)(H,33,34)