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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC=CC=C21)C3=CC=CC=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(C(=O)N(CC2=CC=CC=C21)C3=CC=CC=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

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