1-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1-cyclohexyl-urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1-cyclohexyl-urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1-cyclohexyl-urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1-cyclohexylurea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1-cyclohexylurea Traditional Name: 3-(3-bromophenyl)-1-cyclohexyl-1-piperonyl-urea Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN2O3/c22-16-5-4-6-17(12-16)23-21(25)24(18-7-2-1-3-8-18)13-15-9-10-19-20(11-15)27-14-26-19/h4-6,9-12,18H,1-3,7-8,13-14H2,(H,23,25)