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

Systemtic Name: 1-[2-(3,5-dimethoxyphenyl)ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[2-(3,5-dimethoxyphenyl)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[2-(3,5-dimethoxyphenyl)ethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[2-(3,5-dimethoxyphenyl)ethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2-(3,5-dimethoxyphenyl)ethyl]-3-(5-isoquinolyl)urea Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCNC(=O)NC2=CC=CC3=C2C=CN=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCNC(=O)NC2=CC=CC3=C2C=CN=C3)OC

InChI

InChI=1S/C20H21N3O3/c1-25-16-10-14(11-17(12-16)26-2)6-9-22-20(24)23-19-5-3-4-15-13-21-8-7-18(15)19/h3-5,7-8,10-13H,6,9H2,1-2H3,(H2,22,23,24)