4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]chromen-2-one CAS Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 5,7-dihydroxy-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4-methyl-coumarin Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O5/c1-13-15(21(28)29-17-11-14(25)10-16(26)20(13)17)12-19(27)24-8-6-23(7-9-24)18-4-2-3-5-22-18/h2-5,10-11,25-26H,6-9,12H2,1H3