7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-p-anisyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CN(C3=C(CN2S(=O)(=O)C)C=C(C=C3)Br)CC4=CN=CN4

Isomeric SMILES

COC1=CC=C(C=C1)CC2CN(C3=C(CN2S(=O)(=O)C)C=C(C=C3)Br)CC4=CN=CN4

InChI

InChI=1S/C22H25BrN4O3S/c1-30-21-6-3-16(4-7-21)9-20-14-26(13-19-11-24-15-25-19)22-8-5-18(23)10-17(22)12-27(20)31(2,28)29/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,24,25)