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

Systemtic Name: 5-phenyl-2-[[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)ethylamino]methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[2-(4-benzylpiperazino)ethylamino]methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c30-25-17-23(22-9-5-2-6-10-22)18-26(31)24(25)19-27-11-12-28-13-15-29(16-14-28)20-21-7-3-1-4-8-21/h1-10,19,23,27H,11-18,20H2