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

Systemtic Name: 3-(2-chloranyl-6-methyl-phenyl)-1-(phenylmethyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride Openeye Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride CAS Name: 3-(2-chloro-6-methylphenyl)-1-(phenylmethyl)-1-[1-(2-pyrrolidinyl)ethyl]urea hydrochloride IUPAC Name: 1-benzyl-3-(2-chloro-6-methylphenyl)-1-(1-pyrrolidin-2-ylethyl)urea hydrochloride Traditional Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-(1-pyrrolidin-2-ylethyl)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(CC2=CC=CC=C2)C(C)C3CCCN3.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(CC2=CC=CC=C2)C(C)C3CCCN3.Cl

InChI

InChI=1S/C21H26ClN3O.ClH/c1-15-8-6-11-18(22)20(15)24-21(26)25(14-17-9-4-3-5-10-17)16(2)19-12-7-13-23-19;/h3-6,8-11,16,19,23H,7,12-14H2,1-2H3,(H,24,26);1H