4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-tert-butyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-tert-butyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-tert-butyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-tert-butyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-tert-butylchromen-2-one Traditional Name: 6-tert-butyl-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N2O4/c1-26(2,3)20-5-7-22-21(14-20)19(13-25(29)32-22)16-28-10-8-27(9-11-28)15-18-4-6-23-24(12-18)31-17-30-23/h4-7,12-14H,8-11,15-17H2,1-3H3