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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-[(4-methylpiperazino)methyl]coumarin Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N2O5/c1-14-16-4-5-18(26)17(12-25-9-7-24(2)8-10-25)22(16)30-23(27)21(14)15-3-6-19-20(11-15)29-13-28-19/h3-6,11,26H,7-10,12-13H2,1-2H3