1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(5-chloro-2,4-dimethoxy-phenyl)urea CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(5-chloro-2,4-dimethoxy-phenyl)urea Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O3/c1-27-19-13-20(28-2)18(12-17(19)22)24-21(26)23-16-8-10-25(11-9-16)14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H2,23,24,26)