1-(3,4-dimethoxyphenyl)-4-[4-(oxan-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-[4-(oxan-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethoxyphenyl)-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-oxanyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-[4-(oxan-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethoxyphenyl)-4-(4-tetrahydropyran-4-ylpiperazino)butane-1,4-dione Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCOCC3)OC

InChI

InChI=1S/C21H30N2O5/c1-26-19-5-3-16(15-20(19)27-2)18(24)4-6-21(25)23-11-9-22(10-12-23)17-7-13-28-14-8-17/h3,5,15,17H,4,6-14H2,1-2H3