N-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methyl-benzamide

Systemtic Name: N-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methyl-benzamide Openeye Name: N-[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methyl-benzamide CAS Name: N-[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methylbenzamide IUPAC Name: N-[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methylbenzamide Traditional Name: N-[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]-N-methyl-benzamide Formula: C22H24BrN5O3S MolecularWeight: 518.42666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)CC3=CN=CN3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)CC3=CN=CN3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24BrN5O3S/c1-26(22(29)16-6-4-3-5-7-16)21-14-27(13-19-11-24-15-25-19)20-9-8-18(23)10-17(20)12-28(21)32(2,30)31/h3-11,15,21H,12-14H2,1-2H3,(H,24,25)