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

Systemtic Name: 3-(2-chloranyl-6-methyl-phenyl)-1-(phenylmethyl)-1-(2-piperidin-1-ylethyl)urea hydrochloride Openeye Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-[2-(1-piperidyl)ethyl]urea hydrochloride CAS Name: 3-(2-chloro-6-methylphenyl)-1-(phenylmethyl)-1-[2-(1-piperidinyl)ethyl]urea hydrochloride IUPAC Name: 1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea hydrochloride Traditional Name: 1-benzyl-3-(2-chloro-6-methyl-phenyl)-1-(2-piperidinoethyl)urea hydrochloride Formula: C22H29Cl2N3O MolecularWeight: 422.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCCC2)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCCC2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H28ClN3O.ClH/c1-18-9-8-12-20(23)21(18)24-22(27)26(17-19-10-4-2-5-11-19)16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-17H2,1H3,(H,24,27);1H