1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-(1-ethylpiperidin-4-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-(1-ethylpiperidin-4-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoro-phenyl)-1-(1-ethyl-4-piperidyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-(1-ethyl-4-piperidinyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-(1-ethylpiperidin-4-yl)urea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-(1-ethyl-4-piperidyl)-1-piperonyl-urea Formula: C22H25ClFN3O3 MolecularWeight: 433.903603

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H25ClFN3O3/c1-2-26-9-7-17(8-10-26)27(13-15-3-6-20-21(11-15)30-14-29-20)22(28)25-16-4-5-19(24)18(23)12-16/h3-6,11-12,17H,2,7-10,13-14H2,1H3,(H,25,28)