6,7-bis(oxidanyl)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-4-one

Systemtic Name: 6,7-bis(oxidanyl)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydroxy-chromen-4-one CAS Name: 6,7-dihydroxy-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-4-one Traditional Name: 3-[(4-benzylpiperazino)methyl]-6,7-dihydroxy-chromone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=COC4=CC(=C(C=C4C3=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=COC4=CC(=C(C=C4C3=O)O)O

InChI

InChI=1S/C21H22N2O4/c24-18-10-17-20(11-19(18)25)27-14-16(21(17)26)13-23-8-6-22(7-9-23)12-15-4-2-1-3-5-15/h1-5,10-11,14,24-25H,6-9,12-13H2