3,5-dimethyl-2-oxidanyl-6-[5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-yl]pyran-4-one

Systemtic Name: 3,5-dimethyl-2-oxidanyl-6-[5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-yl]pyran-4-one Openeye Name: 2-hydroxy-3,5-dimethyl-6-[5-[(3-pyridylamino)methyl]benzofuran-2-yl]pyran-4-one CAS Name: 2-hydroxy-3,5-dimethyl-6-[5-[(3-pyridinylamino)methyl]-2-benzofuranyl]-4-pyranone IUPAC Name: 2-hydroxy-3,5-dimethyl-6-[5-[(pyridin-3-ylamino)methyl]-1-benzofuran-2-yl]pyran-4-one Traditional Name: 2-hydroxy-3,5-dimethyl-6-[5-[(3-pyridylamino)methyl]benzofuran-2-yl]pyran-4-one Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=CC(=C3)CNC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=CC(=C3)CNC4=CN=CC=C4

InChI

InChI=1S/C21H18N2O4/c1-12-19(24)13(2)21(25)27-20(12)18-9-15-8-14(5-6-17(15)26-18)10-23-16-4-3-7-22-11-16/h3-9,11,23,25H,10H2,1-2H3