3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2-cyanophenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-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=C4C#N

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H26N4O2/c25-16-19-5-1-2-7-23(19)28-13-11-27(12-14-28)10-4-3-6-20-17-26-22-9-8-18(24(29)30)15-21(20)22/h1-2,5,7-9,15,17,26H,3-4,6,10-14H2,(H,29,30)