1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-cyclohexyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-cyclohexyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-cyclohexyl-propan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-cyclohexyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one Traditional Name: 3-cyclohexyl-1-(4-piperonyloylpiperazino)propan-1-one Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N2O4/c24-20(9-6-16-4-2-1-3-5-16)22-10-12-23(13-11-22)21(25)17-7-8-18-19(14-17)27-15-26-18/h7-8,14,16H,1-6,9-13,15H2