4-[[5-[[[(3S)-2-oxidanylidene-1-phenyl-azepan-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[(3S)-2-oxidanylidene-1-phenyl-azepan-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3S)-2-oxo-1-phenyl-azepan-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3S)-2-oxo-1-phenyl-3-azepanyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3S)-2-oxo-1-phenylazepan-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3S)-2-keto-1-phenyl-azepan-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O/c25-14-19-9-11-20(12-10-19)17-28-18-26-15-22(28)16-27-23-8-4-5-13-29(24(23)30)21-6-2-1-3-7-21/h1-3,6-7,9-12,15,18,23,27H,4-5,8,13,16-17H2/t23-/m0/s1