3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6-methyl-1-[(5-methyl-2-furyl)methyl]pyridin-4-one CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6-methyl-1-[(5-methyl-2-furanyl)methyl]-4-pyridinone IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6-methyl-1-[(5-methyl-2-furyl)methyl]-4-pyridone Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H33N3O3/c1-6-23-26(25(31)16-20(4)30(23)17-22-10-9-21(5)33-22)27(32)29-13-11-28(12-14-29)24-15-18(2)7-8-19(24)3/h7-10,15-16H,6,11-14,17H2,1-5H3