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

Systemtic Name: 1,3-bis(2-chloranyl-6-methyl-phenyl)-1-(3-pyrrolidin-1-ylpropyl)urea hydrochloride Openeye Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(3-pyrrolidin-1-ylpropyl)urea hydrochloride CAS Name: 1,3-bis(2-chloro-6-methylphenyl)-1-[3-(1-pyrrolidinyl)propyl]urea hydrochloride IUPAC Name: 1,3-bis(2-chloro-6-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)urea hydrochloride Traditional Name: 1,3-bis(2-chloro-6-methyl-phenyl)-1-(3-pyrrolidinopropyl)urea hydrochloride Formula: C22H28Cl3N3O MolecularWeight: 456.83622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCCN2CCCC2)C3=C(C=CC=C3Cl)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCCN2CCCC2)C3=C(C=CC=C3Cl)C.Cl

InChI

InChI=1S/C22H27Cl2N3O.ClH/c1-16-8-5-10-18(23)20(16)25-22(28)27(15-7-14-26-12-3-4-13-26)21-17(2)9-6-11-19(21)24;/h5-6,8-11H,3-4,7,12-15H2,1-2H3,(H,25,28);1H