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

Systemtic Name: 5-phenyl-2-[[2-[4-(2-phenylethanoyl)piperazin-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-[[2-[4-(2-phenylacetyl)piperazin-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[[2-[4-(2-phenylacetyl)piperazino]ethylamino]methylene]cyclohexane-1,3-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c31-25-18-23(22-9-5-2-6-10-22)19-26(32)24(25)20-28-11-12-29-13-15-30(16-14-29)27(33)17-21-7-3-1-4-8-21/h1-10,20,23,28H,11-19H2