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

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-pyridin-3-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(3-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-pyridin-3-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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