1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]-3-methyl-butan-1-one Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2OC)OCO3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2OC)OCO3

InChI

InChI=1S/C18H26N2O4/c1-13(2)8-18(21)20-6-4-19(5-7-20)11-14-9-16-17(24-12-23-16)10-15(14)22-3/h9-10,13H,4-8,11-12H2,1-3H3