2-[4-(dimethylamino)but-1-ynyl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[4-(dimethylamino)but-1-ynyl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[4-(dimethylamino)but-1-ynyl]-2-phenyl-indane-1,3-dione CAS Name: 2-[4-(dimethylamino)but-1-ynyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[4-(dimethylamino)but-1-ynyl]-2-phenylindene-1,3-dione Traditional Name: 2-[4-(dimethylamino)but-1-ynyl]-2-phenyl-indane-1,3-quinone Formula: C21H19NO2 MolecularWeight: 317.38106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC#CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCC#CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO2/c1-22(2)15-9-8-14-21(16-10-4-3-5-11-16)19(23)17-12-6-7-13-18(17)20(21)24/h3-7,10-13H,9,15H2,1-2H3