1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one Traditional Name: 2-(3-methylphenoxy)-1-(4-piperonylpiperazino)butan-1-one Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC(=C4)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC(=C4)C

InChI

InChI=1S/C23H28N2O4/c1-3-20(29-19-6-4-5-17(2)13-19)23(26)25-11-9-24(10-12-25)15-18-7-8-21-22(14-18)28-16-27-21/h4-8,13-14,20H,3,9-12,15-16H2,1-2H3