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

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

Isomeric SMILES

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

InChI

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