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

Systemtic Name: 4,7-dimethyl-5-oxidanyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 5-hydroxy-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4,7-dimethyl-coumarin Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C)C(=C1)O

InChI

InChI=1S/C22H23N3O4/c1-14-11-17(26)21-15(2)16(22(28)29-18(21)12-14)13-20(27)25-9-7-24(8-10-25)19-5-3-4-6-23-19/h3-6,11-12,26H,7-10,13H2,1-2H3