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

Systemtic Name: 3-[[3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-benzyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[3-oxo-4-(phenylmethyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-benzyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-benzyl-3-keto-piperazino)methyl]-2-phenyl-cinchoninic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

InChI

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