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

Systemtic Name: 3-(2-chloranyl-6-methyl-phenyl)-1-(phenylmethyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride Openeye Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride CAS Name: 3-(2-chloro-6-methylphenyl)-1-(phenylmethyl)-1-[2-(1-pyrrolidinyl)ethyl]urea hydrochloride IUPAC Name: 1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride Traditional Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-(2-pyrrolidinoethyl)urea hydrochloride Formula: C21H27Cl2N3O MolecularWeight: 408.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26ClN3O.ClH/c1-17-8-7-11-19(22)20(17)23-21(26)25(15-14-24-12-5-6-13-24)16-18-9-3-2-4-10-18;/h2-4,7-11H,5-6,12-16H2,1H3,(H,23,26);1H