8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-7-oxidanyl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-7-oxidanyl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-[3-(1-imidazolyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C26H17FN4O2 MolecularWeight: 436.437183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)O)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)O)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C26H17FN4O2/c27-20-8-5-17(6-9-20)4-7-19-13-23-24(14-25(19)32)29-22(15-26(33)30-23)18-2-1-3-21(12-18)31-11-10-28-16-31/h1-3,5-6,8-14,16,32H,15H2,(H,30,33)