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

Systemtic Name: 1-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]-3-naphthalen-1-yl-urea Openeye Name: 1-(1-naphthyl)-3-[[5-(p-tolyl)-8-isoquinolyl]methyl]urea CAS Name: 1-[[5-(4-methylphenyl)-8-isoquinolinyl]methyl]-3-(1-naphthalenyl)urea IUPAC Name: 1-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]-3-naphthalen-1-ylurea Traditional Name: 1-(1-naphthyl)-3-[[5-(p-tolyl)-8-isoquinolyl]methyl]urea Formula: C28H23N3O MolecularWeight: 417.50172

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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H23N3O/c1-19-9-11-21(12-10-19)23-14-13-22(26-18-29-16-15-25(23)26)17-30-28(32)31-27-8-4-6-20-5-2-3-7-24(20)27/h2-16,18H,17H2,1H3,(H2,30,31,32)