(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one

Systemtic Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one Openeye Name: (6E)-6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexanone CAS Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methyl-1-piperazinyl)methyl]-1-cyclohexanone IUPAC Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one Traditional Name: (6E)-2-methyl-2-[(4-methylpiperazino)methyl]-6-piperonylidene-cyclohexanone Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN4CCN(CC4)C

Isomeric SMILES

CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)CN4CCN(CC4)C

InChI

InChI=1S/C21H28N2O3/c1-21(14-23-10-8-22(2)9-11-23)7-3-4-17(20(21)24)12-16-5-6-18-19(13-16)26-15-25-18/h5-6,12-13H,3-4,7-11,14-15H2,1-2H3/b17-12+