4-[[5-[[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3,5-dimethylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(3,5-dimethylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(3,5-dimethylbenzoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H27N5O/c1-19-11-20(2)13-23(12-19)25(31)29-9-7-28(8-10-29)17-24-15-27-18-30(24)16-22-5-3-21(14-26)4-6-22/h3-6,11-13,15,18H,7-10,16-17H2,1-2H3