3-fluoranyl-4-(4-phenylpiperazin-1-yl)carbonyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-(4-phenylpiperazin-1-yl)carbonyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-(4-phenylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-fluoro-4-[oxo-(4-phenyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 3-fluoro-4-(4-phenylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-fluoro-4-(4-phenylpiperazine-1-carbonyl)benzonitrile Formula: C18H16FN3O MolecularWeight: 309.337543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H16FN3O/c19-17-12-14(13-20)6-7-16(17)18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11H2