4-[[4-(2,4-dichlorophenyl)-3-phenyl-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,4-dichlorophenyl)-3-phenyl-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,4-dichlorophenyl)-3-phenyl-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,4-dichlorophenyl)-3-phenyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,4-dichlorophenyl)-3-phenylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,4-dichlorophenyl)-3-phenyl-piperazino]methyl]benzonitrile Formula: C24H21Cl2N3 MolecularWeight: 422.34964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C(CN1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H21Cl2N3/c25-21-10-11-23(22(26)14-21)29-13-12-28(16-19-8-6-18(15-27)7-9-19)17-24(29)20-4-2-1-3-5-20/h1-11,14,24H,12-13,16-17H2