1-(4-aminophenyl)-3-(3-cycloheptyl-2-methyl-phenyl)urea dihydrochloride

Systemtic Name: 1-(4-aminophenyl)-3-(3-cycloheptyl-2-methyl-phenyl)urea dihydrochloride Openeye Name: 1-(4-aminophenyl)-3-(3-cycloheptyl-2-methyl-phenyl)urea dihydrochloride CAS Name: 1-(4-aminophenyl)-3-(3-cycloheptyl-2-methylphenyl)urea dihydrochloride IUPAC Name: 1-(4-aminophenyl)-3-(3-cycloheptyl-2-methylphenyl)urea dihydrochloride Traditional Name: 1-(4-aminophenyl)-3-(3-cycloheptyl-2-methyl-phenyl)urea dihydrochloride Formula: C21H29Cl2N3O MolecularWeight: 410.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)N)C3CCCCCC3.Cl.Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)N)C3CCCCCC3.Cl.Cl

InChI

InChI=1S/C21H27N3O.2ClH/c1-15-19(16-7-4-2-3-5-8-16)9-6-10-20(15)24-21(25)23-18-13-11-17(22)12-14-18;;/h6,9-14,16H,2-5,7-8,22H2,1H3,(H2,23,24,25);2*1H