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

Systemtic Name: 1-(4-aminophenyl)-3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-cycloheptyl-urea hydrochloride Openeye Name: 1-(4-aminophenyl)-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-cycloheptyl-urea hydrochloride CAS Name: 1-(4-aminophenyl)-3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-cycloheptylurea hydrochloride IUPAC Name: 1-(4-aminophenyl)-3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-cycloheptylurea hydrochloride Traditional Name: 1-(4-aminophenyl)-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-cycloheptyl-urea hydrochloride Formula: C25H36ClN3O3 MolecularWeight: 462.02464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N)OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N)OC.Cl

InChI

InChI=1S/C25H35N3O3.ClH/c1-25(2,3)21-15-20(31-4)16-22(23(21)29)27-24(30)28(18-9-7-5-6-8-10-18)19-13-11-17(26)12-14-19;/h11-16,18,29H,5-10,26H2,1-4H3,(H,27,30);1H