4-[[5-[(4-ethanoyl-5-phenyl-1,4-diazepan-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(4-ethanoyl-5-phenyl-1,4-diazepan-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-acetyl-5-phenyl-1,4-diazepan-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[(4-acetyl-5-phenyl-1,4-diazepan-1-yl)methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-acetyl-5-phenyl-1,4-diazepan-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(4-acetyl-5-phenyl-1,4-diazepan-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CCC1C2=CC=CC=C2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)N1CCN(CCC1C2=CC=CC=C2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N5O/c1-20(31)30-14-13-28(12-11-25(30)23-5-3-2-4-6-23)18-24-16-27-19-29(24)17-22-9-7-21(15-26)8-10-22/h2-10,16,19,25H,11-14,17-18H2,1H3