1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-pentanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-one Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-(4-piperonylpiperazino)pentan-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-20-6-7-21(2)24(16-20)31-15-5-10-27(3,4)26(30)29-13-11-28(12-14-29)18-22-8-9-23-25(17-22)33-19-32-23/h6-9,16-17H,5,10-15,18-19H2,1-4H3