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

Systemtic Name: 2-[[2-[4-(3-oxidanylidene-1H-2-benzofuran-1-yl)piperazin-1-yl]ethylamino]methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-[4-(3-oxo-1H-isobenzofuran-1-yl)piperazin-1-yl]ethylamino]methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(3-oxo-1H-isobenzofuran-1-yl)-1-piperazinyl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[[2-[4-(3-oxo-1H-2-benzofuran-1-yl)piperazin-1-yl]ethylamino]methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[[2-(4-phthalidylpiperazino)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H29N3O4/c31-24-16-20(19-6-2-1-3-7-19)17-25(32)23(24)18-28-10-11-29-12-14-30(15-13-29)26-21-8-4-5-9-22(21)27(33)34-26/h1-9,18,20,26,28H,10-17H2