2-[1-[4-(4-Nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione

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Basic information

CAS: 5669-13-6
Standard SMILES: CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey: FNIRMOZQRJAJFJ-UHFFFAOYSA-N
Molecular formula: C21H19N3O4
Average molar mass: 377.4 g/mol
Monoisotopic mass: 377.1375561

Names & identifiers

Preferred name: 2-[1-[4-(4-Nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione
IUPAC: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione

Names & synonyms

5669-13-62-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione2-{1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene}-1H-indene-1,3(2H)-dione2-{1-[4-(4-nitrophenyl)-1-piperazinyl]ethylidene}-1H-indene-1,3(2H)-dione2-(1-(4-(4-nitrophenyl)piperazin-1-yl)ethylidene)-1H-indene-1,3(2H)-dione2-[1-(4-{4-nitrophenyl}-1-piperazinyl)ethylidene]-1H-indene-1,3(2H)-dioneCBMicro_027473Cambridge id 5669136Oprea1_235526DTXSID10386347STK047005AKOS005384814

Show more names

BIM-0027425.P001AB00092698-01AK-968/11563022SR-01000216523SR-01000216523-1

Database identifiers

CAS: 5669-13-6
PubChem CID: 2860089
DTXSID: DTXSID10386347

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 86.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 656

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Compound notes

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