4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(C)C

InChI

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