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

Systemtic Name: 5-(4-chlorophenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-(4-chlorophenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-chlorophenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5-(4-chlorophenyl)-2-[[2-(4-propionylpiperazino)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-2-22(29)26-11-9-25(10-12-26)8-7-24-15-19-20(27)13-17(14-21(19)28)16-3-5-18(23)6-4-16/h3-6,15,17,24H,2,7-14H2,1H3