1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1H-imidazol-5-ylmethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H25N7O2S MolecularWeight: 487.5767

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)CC4=CN=CN4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)CC4=CN=CN4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N7O2S/c26-10-20-6-7-25-21(8-20)13-32(35(33,34)16-23-12-28-18-30-23)24(9-19-4-2-1-3-5-19)15-31(25)14-22-11-27-17-29-22/h1-8,11-12,17-18,24H,9,13-16H2,(H,27,29)(H,28,30)