3-(1,3-benzodioxol-5-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-ethylpiperazino)methyl]-7-hydroxy-4-methyl-coumarin Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H26N2O5/c1-3-25-8-10-26(11-9-25)13-18-19(27)6-5-17-15(2)22(24(28)31-23(17)18)16-4-7-20-21(12-16)30-14-29-20/h4-7,12,27H,3,8-11,13-14H2,1-2H3