4-[[5-[[4-(1H-indol-4-ylcarbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(1H-indol-4-ylcarbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(1H-indole-4-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[1H-indol-4-yl(oxo)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(1H-indole-4-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(1H-indole-4-carbonyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H24N6O MolecularWeight: 424.49766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=C5C=CNC5=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=C5C=CNC5=CC=C4

InChI

InChI=1S/C25H24N6O/c26-14-19-4-6-20(7-5-19)16-31-18-27-15-21(31)17-29-10-12-30(13-11-29)25(32)23-2-1-3-24-22(23)8-9-28-24/h1-9,15,18,28H,10-13,16-17H2