2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)ethanenitrile

Systemtic Name: 2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)ethanenitrile Openeye Name: 2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)acetonitrile CAS Name: 2-[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1H-imidazol-5-yl)acetonitrile IUPAC Name: 2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)acetonitrile Traditional Name: 2-(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)acetonitrile Formula: C22H22BrN5O2S MolecularWeight: 500.41138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(C#N)C4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(C#N)C4=CN=CN4

InChI

InChI=1S/C22H22BrN5O2S/c1-31(29,30)28-13-17-10-18(23)7-8-21(17)27(22(11-24)20-12-25-15-26-20)14-19(28)9-16-5-3-2-4-6-16/h2-8,10,12,15,19,22H,9,13-14H2,1H3,(H,25,26)