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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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