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

Systemtic Name: 1-isoquinolin-5-yl-3-[1-methoxy-3-(3-methylphenoxy)propan-2-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[1-(methoxymethyl)-2-(3-methylphenoxy)ethyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[1-methoxy-3-(3-methylphenoxy)propan-2-yl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[1-methoxy-3-(3-methylphenoxy)propan-2-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-[1-(methoxymethyl)-2-(3-methylphenoxy)ethyl]urea Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-15-5-3-7-18(11-15)27-14-17(13-26-2)23-21(25)24-20-8-4-6-16-12-22-10-9-19(16)20/h3-12,17H,13-14H2,1-2H3,(H2,23,24,25)