4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 4-(4-fluorophenyl)sulfonyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C28H29FN4O2S MolecularWeight: 504.618863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN2C(CN(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=CN1)CN2C(CN(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F)CCC5=CC=CC=C5

InChI

InChI=1S/C28H29FN4O2S/c1-21-27(31-20-30-21)19-33-25(14-11-22-7-3-2-4-8-22)18-32(17-23-9-5-6-10-28(23)33)36(34,35)26-15-12-24(29)13-16-26/h2-10,12-13,15-16,20,25H,11,14,17-19H2,1H3,(H,30,31)