1-isoquinolin-5-yl-3-[1-(3-methylphenoxy)-3-oxidanyl-propan-2-yl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[1-(3-methylphenoxy)-3-oxidanyl-propan-2-yl]urea Openeye Name: 1-[1-(hydroxymethyl)-2-(3-methylphenoxy)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-hydroxy-3-(3-methylphenoxy)propan-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-hydroxy-3-(3-methylphenoxy)propan-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-(5-isoquinolyl)-3-[1-methylol-2-(3-methylphenoxy)ethyl]urea Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CO)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CO)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21N3O3/c1-14-4-2-6-17(10-14)26-13-16(12-24)22-20(25)23-19-7-3-5-15-11-21-9-8-18(15)19/h2-11,16,24H,12-13H2,1H3,(H2,22,23,25)