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

Systemtic Name: 4-[[3-azanyl-6-[3-ethynyl-2,6-dimethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-amino-6-[3-ethynyl-4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile CAS Name: 4-[[3-amino-6-[3-ethynyl-4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[3-amino-6-[3-ethynyl-4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]pyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-amino-6-[3-ethynyl-4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C#CC(C)(C)O)C#C)C)OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C#CC(C)(C)O)C#C)C)OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H24N4O2/c1-6-22-18(3)25(17(2)15-20(22)13-14-27(4,5)32)33-24-12-11-23(29)26(31-24)30-21-9-7-19(16-28)8-10-21/h1,7-12,15,32H,29H2,2-5H3,(H,30,31)