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

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(4-pyridylmethyl)piperazino]methyl]coumarin Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)CC4=CC=NC=C4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)CC4=CC=NC=C4)O

InChI

InChI=1S/C23H27N3O3/c1-3-18-13-19-16(2)12-21(27)29-23(19)20(22(18)28)15-26-10-8-25(9-11-26)14-17-4-6-24-7-5-17/h4-7,12-13,28H,3,8-11,14-15H2,1-2H3