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

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methylphenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one Traditional Name: (2S)-2-(2-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=C1OC(C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1O[C@@H](C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-16-5-3-4-6-19(16)28-17(2)22(25)24-11-9-23(10-12-24)14-18-7-8-20-21(13-18)27-15-26-20/h3-8,13,17H,9-12,14-15H2,1-2H3/t17-/m0/s1