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

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-pyridin-2-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(2-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(2-pyridinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-pyridin-2-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(2-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C28H18FN3O MolecularWeight: 431.460423

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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)C5=CC=CC=N5

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC=CC(=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H18FN3O/c29-23-12-9-19(10-13-23)7-8-20-11-14-25-27(16-20)32-28(33)18-26(31-25)22-5-3-4-21(17-22)24-6-1-2-15-30-24/h1-6,9-17H,18H2,(H,32,33)