8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-chromen-2-one

Systemtic Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-chromen-2-one Openeye Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-chromen-2-one CAS Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-1-benzopyran-2-one IUPAC Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxychromen-2-one Traditional Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazino)propyl]-5,7-dimethoxy-coumarin Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CCN3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CCN3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C31H32N2O6/c1-35-26-19-28(36-2)30(31-24(26)9-11-29(34)39-31)23(21-8-10-25-27(18-21)38-20-37-25)12-13-32-14-16-33(17-15-32)22-6-4-3-5-7-22/h3-11,18-19,23H,12-17,20H2,1-2H3