1,3-bis(2-chloranyl-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride

Systemtic Name: 1,3-bis(2-chloranyl-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride Openeye Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride CAS Name: 1,3-bis(2-chloro-6-methylphenyl)-1-[2-(1-pyrrolidinyl)ethyl]urea hydrochloride IUPAC Name: 1,3-bis(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride Traditional Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidinoethyl)urea hydrochloride Formula: C21H26Cl3N3O MolecularWeight: 442.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)C3=C(C=CC=C3Cl)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)C3=C(C=CC=C3Cl)C.Cl

InChI

InChI=1S/C21H25Cl2N3O.ClH/c1-15-7-5-9-17(22)19(15)24-21(27)26(14-13-25-11-3-4-12-25)20-16(2)8-6-10-18(20)23;/h5-10H,3-4,11-14H2,1-2H3,(H,24,27);1H