6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4-methyl-coumarin Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-13-14-10-16(22)17(26)12-18(14)29-21(28)15(13)11-20(27)25-8-6-24(7-9-25)19-4-2-3-5-23-19/h2-5,10,12,26H,6-9,11H2,1H3