4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-veratrylpiperazino)methyl]coumarin Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-4-18-12-20-19(13-25(29)32-23(20)14-21(18)28)16-27-9-7-26(8-10-27)15-17-5-6-22(30-2)24(11-17)31-3/h5-6,11-14,28H,4,7-10,15-16H2,1-3H3