2-[3,4-bis(oxidanyl)phenyl]-6-methyl-8-(4-methylpiperazin-1-yl)-3-oxidanyl-chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-6-methyl-8-(4-methylpiperazin-1-yl)-3-oxidanyl-chromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methyl-8-(4-methylpiperazin-1-yl)chromen-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methyl-8-(4-methyl-1-piperazinyl)-1-benzopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methyl-8-(4-methylpiperazin-1-yl)chromen-4-one Traditional Name: 2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methyl-8-(4-methylpiperazino)chromone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)N4CCN(CC4)C

InChI

InChI=1S/C21H22N2O5/c1-12-9-14-18(26)19(27)20(13-3-4-16(24)17(25)11-13)28-21(14)15(10-12)23-7-5-22(2)6-8-23/h3-4,9-11,24-25,27H,5-8H2,1-2H3