4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 4-(2-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3F)CC4=CN=CN4)CCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3F)CC4=CN=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27FN4O2S/c28-25-11-5-7-13-27(25)35(33,34)31-17-22-10-4-6-12-26(22)32(18-23-16-29-20-30-23)24(19-31)15-14-21-8-2-1-3-9-21/h1-13,16,20,24H,14-15,17-19H2,(H,29,30)