4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]-2-(3-phenylazanylphenoxy)benzenecarbonitrile

Systemtic Name: 4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]-2-(3-phenylazanylphenoxy)benzenecarbonitrile Openeye Name: 2-(3-anilinophenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile CAS Name: 2-(3-anilinophenoxy)-4-[1-hydroxy-1-(3-methyl-4-imidazolyl)ethyl]benzonitrile IUPAC Name: 2-(3-anilinophenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Traditional Name: 2-(3-anilinophenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)NC3=CC=CC=C3)(C4=CN=CN4C)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)NC3=CC=CC=C3)(C4=CN=CN4C)O

InChI

InChI=1S/C25H22N4O2/c1-25(30,24-16-27-17-29(24)2)19-12-11-18(15-26)23(13-19)31-22-10-6-9-21(14-22)28-20-7-4-3-5-8-20/h3-14,16-17,28,30H,1-2H3