4-[[5-[[4-(5-chloranyl-2-phenethyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(5-chloranyl-2-phenethyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(5-chloro-2-phenethyl-benzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(5-chloro-2-phenethylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(5-chloro-2-phenethylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(5-chloro-2-phenethyl-benzoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C31H30ClN5O MolecularWeight: 524.0558

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=C(C=CC(=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=C(C=CC(=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C31H30ClN5O/c32-28-13-12-27(11-10-24-4-2-1-3-5-24)30(18-28)31(38)36-16-14-35(15-17-36)22-29-20-34-23-37(29)21-26-8-6-25(19-33)7-9-26/h1-9,12-13,18,20,23H,10-11,14-17,21-22H2