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

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(2-imidazol-1-ylpyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(2-imidazol-1-yl-4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[2-(1-imidazolyl)-4-pyridinyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(2-imidazol-1-ylpyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(2-imidazol-1-yl-4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H16FN5O MolecularWeight: 421.425843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16FN5O/c26-20-6-3-17(4-7-20)1-2-18-5-8-21-23(13-18)30-25(32)15-22(29-21)19-9-10-28-24(14-19)31-12-11-27-16-31/h3-14,16H,15H2,(H,30,32)