8-(2-phenylethynyl)-4-(3-pyridin-2-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-(2-phenylethynyl)-4-(3-pyridin-2-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-(2-phenylethynyl)-4-[3-(2-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-(2-phenylethynyl)-4-[3-(2-pyridinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-(2-phenylethynyl)-4-(3-pyridin-2-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-(2-phenylethynyl)-4-[3-(2-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C28H19N3O MolecularWeight: 413.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19N3O/c32-28-19-26(23-10-6-9-22(18-23)24-11-4-5-16-29-24)30-25-15-14-21(17-27(25)31-28)13-12-20-7-2-1-3-8-20/h1-11,14-18H,19H2,(H,31,32)