1-phenyl-3-piperazin-1-yl-isoquinoline-4-carboxylic acid

Systemtic Name: 1-phenyl-3-piperazin-1-yl-isoquinoline-4-carboxylic acid Openeye Name: 1-phenyl-3-piperazin-1-yl-isoquinoline-4-carboxylic acid CAS Name: 1-phenyl-3-(1-piperazinyl)-4-isoquinolinecarboxylic acid IUPAC Name: 1-phenyl-3-piperazin-1-ylisoquinoline-4-carboxylic acid Traditional Name: 1-phenyl-3-piperazino-isoquinoline-4-carboxylic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H19N3O2/c24-20(25)17-15-8-4-5-9-16(15)18(14-6-2-1-3-7-14)22-19(17)23-12-10-21-11-13-23/h1-9,21H,10-13H2,(H,24,25)