1-isoquinolin-1-yl-3-[2-(2-phenylethynyl)phenyl]urea

Systemtic Name: 1-isoquinolin-1-yl-3-[2-(2-phenylethynyl)phenyl]urea Openeye Name: 1-(1-isoquinolyl)-3-[2-(2-phenylethynyl)phenyl]urea CAS Name: 1-(1-isoquinolinyl)-3-[2-(2-phenylethynyl)phenyl]urea IUPAC Name: 1-isoquinolin-1-yl-3-[2-(2-phenylethynyl)phenyl]urea Traditional Name: 1-(1-isoquinolyl)-3-[2-(2-phenylethynyl)phenyl]urea Formula: C24H17N3O MolecularWeight: 363.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)NC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)NC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H17N3O/c28-24(27-23-21-12-6-4-10-19(21)16-17-25-23)26-22-13-7-5-11-20(22)15-14-18-8-2-1-3-9-18/h1-13,16-17H,(H2,25,26,27,28)