3-[2-oxidanylidene-8-(2-pyridin-2-ylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-(2-pyridin-2-ylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-[2-(2-pyridyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-[2-(2-pyridinyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-(2-pyridin-2-ylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-[2-(2-pyridyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H14N4O MolecularWeight: 362.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=N3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=N3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H14N4O/c24-15-17-4-3-5-18(12-17)21-14-23(28)27-22-13-16(8-10-20(22)26-21)7-9-19-6-1-2-11-25-19/h1-6,8,10-13H,14H2,(H,27,28)