4-[[3-azanyl-6-[2,6-dimethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-azanyl-6-[2,6-dimethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-amino-6-[4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile CAS Name: 4-[[3-amino-6-[4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[3-amino-6-[4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]pyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-amino-6-[4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N)C)C#CC(C)(C)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N)C)C#CC(C)(C)O

InChI

InChI=1S/C25H24N4O2/c1-16-13-19(11-12-25(3,4)30)14-17(2)23(16)31-22-10-9-21(27)24(29-22)28-20-7-5-18(15-26)6-8-20/h5-10,13-14,30H,27H2,1-4H3,(H,28,29)