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

Systemtic Name: 2-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-benzylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C28H27N3O2 MolecularWeight: 437.53288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H27N3O2/c32-28(33)26-23-13-7-8-14-25(23)29-27(22-11-5-2-6-12-22)24(26)20-31-17-15-30(16-18-31)19-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,32,33)