1-(1-adamantyl)-3-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(1-adamantyl)-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(1-adamantyl)-3-[[5-(2-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(1-adamantyl)-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O/c1-18-4-2-3-5-23(18)24-7-6-22(26-17-29-9-8-25(24)26)16-30-27(32)31-28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H2,30,31,32)