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

Systemtic Name: 1-cyclohexyl-3-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-cyclohexyl-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea CAS Name: 1-cyclohexyl-3-[[5-(2-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-cyclohexyl-3-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-cyclohexyl-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea Formula: C24H27N3O MolecularWeight: 373.49068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4CCCCC4

InChI

InChI=1S/C24H27N3O/c1-17-7-5-6-10-20(17)21-12-11-18(23-16-25-14-13-22(21)23)15-26-24(28)27-19-8-3-2-4-9-19/h5-7,10-14,16,19H,2-4,8-9,15H2,1H3,(H2,26,27,28)