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

Systemtic Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[2-(4-caproylpiperazino)ethylamino]methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-2-3-5-10-25(31)28-15-13-27(14-16-28)12-11-26-19-22-23(29)17-21(18-24(22)30)20-8-6-4-7-9-20/h4,6-9,19,21,26H,2-3,5,10-18H2,1H3