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

Systemtic Name: N-tert-butyl-2-[[4-(3-cyanophenyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]ethanamide Openeye Name: N-tert-butyl-2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetamide CAS Name: N-tert-butyl-2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetamide IUPAC Name: N-tert-butyl-2-[[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetamide Traditional Name: N-tert-butyl-2-[[4-(3-cyanophenyl)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetamide Formula: C30H26N4O3 MolecularWeight: 490.55244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N4O3/c1-30(2,3)34-29(36)19-37-27-16-26-25(15-23(27)13-12-20-8-5-4-6-9-20)33-28(35)17-24(32-26)22-11-7-10-21(14-22)18-31/h4-11,14-16H,17,19H2,1-3H3,(H,33,35)(H,34,36)