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

Systemtic Name: 8-[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-chromen-2-one Openeye Name: 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-chromen-2-one CAS Name: 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-1-benzopyran-2-one IUPAC Name: 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxychromen-2-one Traditional Name: 8-[1-(1,3-benzodioxol-5-yl)-3-keto-3-(4-phenylpiperazino)propyl]-5,7-dimethoxy-coumarin Formula: C31H30N2O7 MolecularWeight: 542.5791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C31H30N2O7/c1-36-25-18-27(37-2)30(31-22(25)9-11-29(35)40-31)23(20-8-10-24-26(16-20)39-19-38-24)17-28(34)33-14-12-32(13-15-33)21-6-4-3-5-7-21/h3-11,16,18,23H,12-15,17,19H2,1-2H3