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

Systemtic Name: 3-[[4-[2-(dimethylamino)ethanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(dimethylamino)acetyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(dimethylamino)-1-oxoethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(dimethylamino)acetyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(dimethylamino)acetyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)CC(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-27(2)17-22(30)29-14-12-28(13-15-29)16-20-23(25(31)32)19-10-6-7-11-21(19)26-24(20)18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3,(H,31,32)