6-ethyl-4-methyl-7-oxidanyl-8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-pyridyl)piperazino]methyl]coumarin Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)C4=CC=CC=N4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)C4=CC=CC=N4)O

InChI

InChI=1S/C22H25N3O3/c1-3-16-13-17-15(2)12-20(26)28-22(17)18(21(16)27)14-24-8-10-25(11-9-24)19-6-4-5-7-23-19/h4-7,12-13,27H,3,8-11,14H2,1-2H3