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

Systemtic Name: 3-[7-(dimethylamino)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(dimethylamino)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(dimethylamino)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(dimethylamino)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[7-(dimethylamino)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C26H20N4O MolecularWeight: 404.4632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)C1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H20N4O/c1-30(2)25-15-24-23(14-21(25)12-11-18-7-4-3-5-8-18)29-26(31)16-22(28-24)20-10-6-9-19(13-20)17-27/h3-10,13-15H,16H2,1-2H3,(H,29,31)