4-[[3-azanyl-6-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-azanyl-6-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-amino-6-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile CAS Name: 4-[[3-amino-6-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[3-amino-6-[4-(hydroxymethyl)-2,6-dimethylphenoxy]pyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-amino-6-(2,6-dimethyl-4-methylol-phenoxy)-2-pyridyl]amino]benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2/c1-13-9-16(12-26)10-14(2)20(13)27-19-8-7-18(23)21(25-19)24-17-5-3-15(11-22)4-6-17/h3-10,26H,12,23H2,1-2H3,(H,24,25)