8-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-(1,3-benzodioxol-5-yl)piperazino]methyl]-7-hydroxy-3-phenyl-chromone Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H24N2O5/c30-23-8-7-20-26(31)22(18-4-2-1-3-5-18)16-32-27(20)21(23)15-28-10-12-29(13-11-28)19-6-9-24-25(14-19)34-17-33-24/h1-9,14,16,30H,10-13,15,17H2