1-(3-methoxyphenyl)-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[[5-(p-tolyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[[5-(4-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[[5-(p-tolyl)-8-isoquinolyl]methyl]urea Formula: C25H23N3O2 MolecularWeight: 397.46902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H23N3O2/c1-17-6-8-18(9-7-17)22-11-10-19(24-16-26-13-12-23(22)24)15-27-25(29)28-20-4-3-5-21(14-20)30-2/h3-14,16H,15H2,1-2H3,(H2,27,28,29)