3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(4-cyanophenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(4-cyanophenyl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H26N4O2/c25-16-18-4-7-21(8-5-18)28-13-11-27(12-14-28)10-2-1-3-20-17-26-23-9-6-19(24(29)30)15-22(20)23/h4-9,15,17,26H,1-3,10-14H2,(H,29,30)