7-bromanyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[(4-isobutyrylpiperazino)methyl]coumarin Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H21BrN2O3/c1-12(2)18(23)21-7-5-20(6-8-21)11-13-9-17(22)24-16-10-14(19)3-4-15(13)16/h3-4,9-10,12H,5-8,11H2,1-2H3