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

Systemtic Name: 3-[2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Openeye Name: 3-[2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide CAS Name: 3-[2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide IUPAC Name: 3-[2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Traditional Name: 3-[2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Formula: C24H17N3O2 MolecularWeight: 379.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O2/c25-24(29)19-8-4-7-18(14-19)21-15-23(28)27-22-13-17(11-12-20(22)26-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H2,25,29)(H,27,28)