8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-(2-phenylethynyl)-4-[3-(trifluoromethyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C24H15F3N2O MolecularWeight: 404.38391

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H15F3N2O/c25-24(26,27)19-8-4-7-18(14-19)21-15-23(30)29-22-13-17(11-12-20(22)28-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,29,30)