3-fluoranyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-fluoro-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-fluoro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H15FN4O3/c19-17-11-13(12-20)1-6-16(17)18(24)22-9-7-21(8-10-22)14-2-4-15(5-3-14)23(25)26/h1-6,11H,7-10H2