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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Traditional Name: (2R)-2-(3-methylphenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-16-4-3-5-19(12-16)28-17(2)22(25)24-10-8-23(9-11-24)14-18-6-7-20-21(13-18)27-15-26-20/h3-7,12-13,17H,8-11,14-15H2,1-2H3/t17-/m1/s1