6-ethyl-7-oxidanyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyridylmethyl)piperazino]methyl]coumarin Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=N4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=N4)O

InChI

InChI=1S/C22H25N3O3/c1-2-16-11-19-17(12-22(27)28-21(19)13-20(16)26)14-24-7-9-25(10-8-24)15-18-5-3-4-6-23-18/h3-6,11-13,26H,2,7-10,14-15H2,1H3