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

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[(4-veratroylpiperazino)methyl]coumarin Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N2O5/c1-4-17-5-7-20-19(15-24(28)32-22(20)13-17)16-26-9-11-27(12-10-26)25(29)18-6-8-21(30-2)23(14-18)31-3/h5-8,13-15H,4,9-12,16H2,1-3H3