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

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(1-imidazolyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C26H17FN4O MolecularWeight: 420.437783

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H17FN4O/c27-21-9-6-18(7-10-21)4-5-19-8-11-23-25(14-19)30-26(32)16-24(29-23)20-2-1-3-22(15-20)31-13-12-28-17-31/h1-3,6-15,17H,16H2,(H,30,32)