4-[[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazino]methyl]benzonitrile Formula: C25H26N4O MolecularWeight: 398.50014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H26N4O/c1-19-3-4-20(2)29(19)24-11-9-23(10-12-24)25(30)28-15-13-27(14-16-28)18-22-7-5-21(17-26)6-8-22/h3-12H,13-16,18H2,1-2H3