3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazino)methyl]-7-hydroxy-4-methyl-coumarin Formula: C25H28N2O5 MolecularWeight: 436.50022

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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)OCCO5)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C25H28N2O5/c1-3-26-8-10-27(11-9-26)15-19-20(28)6-5-18-16(2)23(25(29)32-24(18)19)17-4-7-21-22(14-17)31-13-12-30-21/h4-7,14,28H,3,8-13,15H2,1-2H3