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

Systemtic Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylene]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 5-(4-methylphenyl)-2-[[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-caproylpiperazino)ethylamino]methylene]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C26H37N3O3 MolecularWeight: 439.59028

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O3/c1-3-4-5-6-26(32)29-15-13-28(14-16-29)12-11-27-19-23-24(30)17-22(18-25(23)31)21-9-7-20(2)8-10-21/h7-10,19,22,27H,3-6,11-18H2,1-2H3