3-[7-(cyanomethyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(cyanomethyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(cyanomethyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(cyanomethyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(cyanomethyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[7-(cyanomethyl)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C26H16N4O MolecularWeight: 400.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H16N4O/c27-12-11-21-15-24-25(14-20(21)10-9-18-5-2-1-3-6-18)30-26(31)16-23(29-24)22-8-4-7-19(13-22)17-28/h1-8,13-15H,11,16H2,(H,30,31)