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

Systemtic Name: 7-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(4-isobutyrylpiperazino)methyl]coumarin Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C20H26N2O3/c1-4-15-5-6-17-16(12-19(23)25-18(17)11-15)13-21-7-9-22(10-8-21)20(24)14(2)3/h5-6,11-12,14H,4,7-10,13H2,1-3H3