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

Systemtic Name: 5-(4-chlorophenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-(4-chlorophenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-[[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-chlorophenyl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-caproylpiperazino)ethylamino]methylene]-5-(4-chlorophenyl)cyclohexane-1,3-quinone Formula: C25H34ClN3O3 MolecularWeight: 460.00876

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O3/c1-2-3-4-5-25(32)29-14-12-28(13-15-29)11-10-27-18-22-23(30)16-20(17-24(22)31)19-6-8-21(26)9-7-19/h6-9,18,20,27H,2-5,10-17H2,1H3