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

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19N3O3/c25-18-13-24(11-10-22-18)12-16-19(21(26)27)15-8-4-5-9-17(15)23-20(16)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,25)(H,26,27)