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

Systemtic Name: 2-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethylamino]methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethylamino]methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[2-(4-isobutyrylpiperazino)ethylamino]methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-17(2)23(29)26-12-10-25(11-13-26)9-8-24-16-20-21(27)14-19(15-22(20)28)18-6-4-3-5-7-18/h3-7,16-17,19,24H,8-15H2,1-2H3