3-fluoranyl-4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]benzonitrile CAS Name: 3-fluoro-4-[4-methoxy-3-[[(2-phenyl-3-piperidinyl)amino]methyl]phenyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]benzonitrile Traditional Name: 3-fluoro-4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]benzonitrile Formula: C26H26FN3O MolecularWeight: 415.502543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)F)CNC3CCCNC3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)F)CNC3CCCNC3C4=CC=CC=C4

InChI

InChI=1S/C26H26FN3O/c1-31-25-12-10-20(22-11-9-18(16-28)14-23(22)27)15-21(25)17-30-24-8-5-13-29-26(24)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,24,26,29-30H,5,8,13,17H2,1H3