1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-2-propyl-pyridin-4-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-2-propyl-pyridin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-2-propyl-pyridin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-propyl-4-pyridinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-propylpyridin-4-one Traditional Name: 6-methyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-1-piperonyl-2-propyl-4-pyridone Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C29H33N3O4/c1-4-7-24-28(29(34)31-14-12-30(13-15-31)23-9-6-5-8-20(23)2)25(33)16-21(3)32(24)18-22-10-11-26-27(17-22)36-19-35-26/h5-6,8-11,16-17H,4,7,12-15,18-19H2,1-3H3