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

Systemtic Name: 1,3-bis(2-chloranyl-6-methyl-phenyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride Openeye Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride CAS Name: 1,3-bis(2-chloro-6-methylphenyl)-1-[1-(2-pyrrolidinyl)ethyl]urea hydrochloride IUPAC Name: 1,3-bis(2-chloro-6-methylphenyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride Traditional Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(1-pyrrolidin-2-ylethyl)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(C2=C(C=CC=C2Cl)C)C(C)C3CCCN3.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(C2=C(C=CC=C2Cl)C)C(C)C3CCCN3.Cl

InChI

InChI=1S/C21H25Cl2N3O.ClH/c1-13-7-4-9-16(22)19(13)25-21(27)26(15(3)18-11-6-12-24-18)20-14(2)8-5-10-17(20)23;/h4-5,7-10,15,18,24H,6,11-12H2,1-3H3,(H,25,27);1H