4-[[5-[[(4-oxidanylidene-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[(4-oxidanylidene-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[(4-oxo-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[(4-oxo-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[(4-oxo-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[(4-keto-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C2=CC=CC=C21)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C(C2=CC=CC=C21)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O/c29-16-21-10-12-22(13-11-21)19-32-20-30-17-25(32)18-31-27-26-9-5-4-6-23(26)14-15-33(28(27)34)24-7-2-1-3-8-24/h1-13,17,20,27,31H,14-15,18-19H2