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

Systemtic Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(4-isobutyrylpiperazino)methyl]coumarin Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-12(2)18(23)20-7-5-19(6-8-20)11-13-9-17(22)24-16-10-14(21)3-4-15(13)16/h3-4,9-10,12,21H,5-8,11H2,1-2H3