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

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(3-fluoro-4-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)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

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