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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NC2CCCCCC2)C3=CC=CC=C3N.Cl.Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NC2CCCCCC2)C3=CC=CC=C3N.Cl.Cl

InChI

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