1-(2-tert-butyl-6-methyl-phenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea

Systemtic Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea Openeye Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]urea CAS Name: 1-(2-tert-butyl-6-methylphenyl)-3-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]urea IUPAC Name: 1-(2-tert-butyl-6-methylphenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea Traditional Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]urea Formula: C29H39N5O MolecularWeight: 473.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C

InChI

InChI=1S/C29H39N5O/c1-19-10-9-12-23(29(2,3)4)27(19)33-28(35)31-21-16-14-20(15-17-21)30-26-18-25(34(5)6)22-11-7-8-13-24(22)32-26/h7-13,18,20-21H,14-17H2,1-6H3,(H,30,32)(H2,31,33,35)