9-(2-pyridin-2-ylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 9-(2-pyridin-2-ylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-[2-(2-pyridyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-[2-(2-pyridinyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-(2-pyridin-2-ylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-[2-(2-pyridyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=CC=N3

Isomeric SMILES

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=CC=N3

InChI

InChI=1S/C16H13N3O/c20-16-14-6-3-4-12(15(14)18-10-11-19-16)7-8-13-5-1-2-9-17-13/h1-6,9,18H,10-11H2,(H,19,20)