1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylpiperidin-4-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylpiperidin-4-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3-methyl-phenyl)-1-(1-ethyl-4-piperidyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3-methylphenyl)-1-(1-ethyl-4-piperidinyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3-methylphenyl)-1-(1-ethylpiperidin-4-yl)urea Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1-(1-ethyl-4-piperidyl)-1-piperonyl-urea Formula: C23H28BrN3O3 MolecularWeight: 474.39072

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3/c1-3-26-10-8-19(9-11-26)27(14-17-4-7-21-22(13-17)30-15-29-21)23(28)25-18-5-6-20(24)16(2)12-18/h4-7,12-13,19H,3,8-11,14-15H2,1-2H3,(H,25,28)