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

Systemtic Name: 3-[[4-[2-(4-methylpiperazin-1-yl)ethanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(4-methylpiperazino)acetyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H33N5O3 MolecularWeight: 487.59332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H33N5O3/c1-30-11-13-32(14-12-30)20-25(34)33-17-15-31(16-18-33)19-23-26(28(35)36)22-9-5-6-10-24(22)29-27(23)21-7-3-2-4-8-21/h2-10H,11-20H2,1H3,(H,35,36)