2-[[4-(3-cyanophenyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxy-ethanamide

Systemtic Name: 2-[[4-(3-cyanophenyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxy-ethanamide Openeye Name: 2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxy-acetamide CAS Name: 2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxyacetamide IUPAC Name: 2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxyacetamide Traditional Name: 2-[[4-(3-cyanophenyl)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]-N-methoxy-acetamide Formula: C27H20N4O4 MolecularWeight: 464.4721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)COC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CONC(=O)COC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H20N4O4/c1-34-31-27(33)17-35-25-14-24-23(13-21(25)11-10-18-6-3-2-4-7-18)30-26(32)15-22(29-24)20-9-5-8-19(12-20)16-28/h2-9,12-14H,15,17H2,1H3,(H,30,32)(H,31,33)