1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[2-(3,4-dichlorophenyl)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[2-(3,4-dichlorophenyl)ethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2-(3,4-dichlorophenyl)ethyl]-3-(5-isoquinolyl)urea Formula: C18H15Cl2N3O MolecularWeight: 360.2372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O/c19-15-5-4-12(10-16(15)20)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-14(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)