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

Systemtic Name: 7-bromanyl-5-(4-fluorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(4-fluorophenyl)-4-[4-(1-piperidylsulfonyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-5-(4-fluorophenyl)-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(4-fluorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(4-fluorophenyl)-4-(4-piperidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H25BrFN3O4S MolecularWeight: 586.472503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C27H25BrFN3O4S/c28-20-8-13-24-23(16-20)26(18-4-9-21(29)10-5-18)32(17-25(33)30-24)27(34)19-6-11-22(12-7-19)37(35,36)31-14-2-1-3-15-31/h4-13,16,26H,1-3,14-15,17H2,(H,30,33)