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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one Traditional Name: 3-(4-methylphenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-17-2-5-19(6-3-17)26-13-8-22(25)24-11-9-23(10-12-24)15-18-4-7-20-21(14-18)28-16-27-20/h2-7,14H,8-13,15-16H2,1H3