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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-tert-butylphenoxy)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Traditional Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H32N2O4/c1-18(31-21-8-6-20(7-9-21)25(2,3)4)24(28)27-13-11-26(12-14-27)16-19-5-10-22-23(15-19)30-17-29-22/h5-10,15,18H,11-14,16-17H2,1-4H3/t18-/m1/s1