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

Systemtic Name: 5-phenyl-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[[2-(4-propionylpiperazino)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-2-22(28)25-12-10-24(11-13-25)9-8-23-16-19-20(26)14-18(15-21(19)27)17-6-4-3-5-7-17/h3-7,16,18,23H,2,8-15H2,1H3