7,8-dimethyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 4-[(4-isovalerylpiperazino)methyl]-7,8-dimethyl-coumarin Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)CC(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)CC(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-14(2)11-19(24)23-9-7-22(8-10-23)13-17-12-20(25)26-21-16(4)15(3)5-6-18(17)21/h5-6,12,14H,7-11,13H2,1-4H3