4-[1-(1,3-benzodioxol-5-yl)-3-bromanyl-propyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-3-bromanyl-propyl]-N,N-diethyl-benzamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-3-bromo-propyl]-N,N-diethyl-benzamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-3-bromopropyl]-N,N-diethylbenzamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-3-bromopropyl]-N,N-diethylbenzamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-3-bromo-propyl]-N,N-diethyl-benzamide Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(CCBr)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(CCBr)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24BrNO3/c1-3-23(4-2)21(24)16-7-5-15(6-8-16)18(11-12-22)17-9-10-19-20(13-17)26-14-25-19/h5-10,13,18H,3-4,11-12,14H2,1-2H3