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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[(4-methylpiperazino)methyl]coumarin Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H22N2O5/c1-23-6-8-24(9-7-23)12-17-18(25)4-2-15-10-16(22(26)29-21(15)17)14-3-5-19-20(11-14)28-13-27-19/h2-5,10-11,25H,6-9,12-13H2,1H3