1-(4-azanylcyclohexyl)-3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-phenyl-urea hydrochloride

Systemtic Name: 1-(4-azanylcyclohexyl)-3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-phenyl-urea hydrochloride Openeye Name: 1-(4-aminocyclohexyl)-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-phenyl-urea hydrochloride CAS Name: 1-(4-aminocyclohexyl)-3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-phenylurea hydrochloride IUPAC Name: 1-(4-aminocyclohexyl)-3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-phenylurea hydrochloride Traditional Name: 1-(4-aminocyclohexyl)-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-phenyl-urea hydrochloride Formula: C24H34ClN3O3 MolecularWeight: 447.99806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCC(CC2)N)C3=CC=CC=C3)OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCC(CC2)N)C3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C24H33N3O3.ClH/c1-24(2,3)20-14-19(30-4)15-21(22(20)28)26-23(29)27(17-8-6-5-7-9-17)18-12-10-16(25)11-13-18;/h5-9,14-16,18,28H,10-13,25H2,1-4H3,(H,26,29);1H