1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-3-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chloro-3-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-15-11-18(4-5-19(15)23)29-16(2)22(26)25-9-7-24(8-10-25)13-17-3-6-20-21(12-17)28-14-27-20/h3-6,11-12,16H,7-10,13-14H2,1-2H3