7-bromanyl-5-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-5-(4-fluorophenyl)-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(4-fluorophenyl)-4-(4-pyrrolidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H23BrFN3O4S MolecularWeight: 572.445923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=C(C=C5)F)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=C(C=C5)F)C=C(C=C4)Br

InChI

InChI=1S/C26H23BrFN3O4S/c27-19-7-12-23-22(15-19)25(17-3-8-20(28)9-4-17)31(16-24(32)29-23)26(33)18-5-10-21(11-6-18)36(34,35)30-13-1-2-14-30/h3-12,15,25H,1-2,13-14,16H2,(H,29,32)