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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6-methyl-2-propyl-pyridin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-methyl-2-propyl-pyridin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-methyl-2-propyl-4-pyridinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-methyl-2-propylpyridin-4-one Traditional Name: 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-piperonyl-2-propyl-4-pyridone Formula: C28H30FN3O4 MolecularWeight: 491.553903

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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=C5F

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H30FN3O4/c1-3-6-23-27(28(34)31-13-11-30(12-14-31)22-8-5-4-7-21(22)29)24(33)15-19(2)32(23)17-20-9-10-25-26(16-20)36-18-35-25/h4-5,7-10,15-16H,3,6,11-14,17-18H2,1-2H3