3-bromanyl-8-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-bromanyl-8-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-bromo-7-hydroxy-8-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-chromen-2-one CAS Name: 3-bromo-7-hydroxy-8-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-bromo-7-hydroxy-8-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-methylchromen-2-one Traditional Name: 3-bromo-7-hydroxy-8-[[4-(3-methoxyphenyl)piperazino]methyl]-4-methyl-coumarin Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C4=CC(=CC=C4)OC)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C4=CC(=CC=C4)OC)O)Br

InChI

InChI=1S/C22H23BrN2O4/c1-14-17-6-7-19(26)18(21(17)29-22(27)20(14)23)13-24-8-10-25(11-9-24)15-4-3-5-16(12-15)28-2/h3-7,12,26H,8-11,13H2,1-2H3