4-[2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3,5-dimethylphenyl)-3-oxo-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-(3,5-dimethylphenyl)-3-oxo-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-(3,5-dimethylphenyl)-3-keto-piperazino]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2=O)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4)C

InChI

InChI=1S/C24H25N5O/c1-17-9-18(2)11-21(10-17)29-8-7-28(15-24(29)30)23(22-14-26-16-27-22)12-19-3-5-20(13-25)6-4-19/h3-6,9-11,14,16,23H,7-8,12,15H2,1-2H3,(H,26,27)