4-[(3-fluoranyl-4-phenylmethoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-fluoranyl-4-phenylmethoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-benzyloxy-3-fluoro-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-fluoro-4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-fluoro-4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(4-benzoxy-3-fluoro-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C23H18FN5O MolecularWeight: 399.420323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)F

InChI

InChI=1S/C23H18FN5O/c24-22-12-20(8-11-23(22)30-15-19-4-2-1-3-5-19)14-29(28-16-26-27-17-28)21-9-6-18(13-25)7-10-21/h1-12,16-17H,14-15H2