6-[1-[(3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-(3,6-dimethylbenzofuran-2-carbonyl)-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[(3,6-dimethyl-2-benzofuranyl)-oxomethyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-(3,6-dimethylbenzofuran-2-carbonyl)-4-piperidyl]-1H-pyrimidin-4-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CCC(CC3)C4=CC(=O)N=CN4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CCC(CC3)C4=CC(=O)N=CN4)C

InChI

InChI=1S/C20H21N3O3/c1-12-3-4-15-13(2)19(26-17(15)9-12)20(25)23-7-5-14(6-8-23)16-10-18(24)22-11-21-16/h3-4,9-11,14H,5-8H2,1-2H3,(H,21,22,24)