3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1-carbonyl]benzonitrile Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20FN3O2/c1-26-19-6-5-18(21)12-17(19)14-23-7-9-24(10-8-23)20(25)16-4-2-3-15(11-16)13-22/h2-6,11-12H,7-10,14H2,1H3