5-(3,4-dimethoxyphenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-2-[[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-caproylpiperazino)ethylamino]methylene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H39N3O5/c1-4-5-6-7-27(33)30-14-12-29(13-15-30)11-10-28-19-22-23(31)16-21(17-24(22)32)20-8-9-25(34-2)26(18-20)35-3/h8-9,18-19,21,28H,4-7,10-17H2,1-3H3