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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2/c25-16-18-4-3-6-21(14-18)28-12-10-27(11-13-28)9-2-1-5-20-17-26-23-8-7-19(24(29)30)15-22(20)23/h3-4,6-8,14-15,17,26H,1-2,5,9-13H2,(H,29,30)