5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(3,4-dichlorophenyl)pent-1-en-3-one

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(3,4-dichlorophenyl)pent-1-en-3-one Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(3,4-dichlorophenyl)pent-1-en-3-one CAS Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-1-(3,4-dichlorophenyl)-1-penten-3-one IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-1-(3,4-dichlorophenyl)pent-1-en-3-one Traditional Name: 1-(3,4-dichlorophenyl)-5-[homopiperonyl(methyl)amino]pent-1-en-3-one Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C=C1)OCO2)CCC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN(CCC1=CC2=C(C=C1)OCO2)CCC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO3/c1-24(10-8-16-4-7-20-21(13-16)27-14-26-20)11-9-17(25)5-2-15-3-6-18(22)19(23)12-15/h2-7,12-13H,8-11,14H2,1H3