4-[4-azanyl-3-bromanyl-6-[(4-cyanophenyl)amino]pyridin-2-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[4-azanyl-3-bromanyl-6-[(4-cyanophenyl)amino]pyridin-2-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[4-amino-3-bromo-6-(4-cyanoanilino)-2-pyridyl]oxy]-3,5-dimethyl-benzonitrile CAS Name: 4-[[4-amino-3-bromo-6-(4-cyanoanilino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[4-amino-3-bromo-6-(4-cyanoanilino)pyridin-2-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[[4-amino-3-bromo-6-(4-cyanoanilino)-2-pyridyl]oxy]-3,5-dimethyl-benzonitrile Formula: C21H16BrN5O MolecularWeight: 434.28864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)NC3=CC=C(C=C3)C#N)N)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)NC3=CC=C(C=C3)C#N)N)Br)C)C#N

InChI

InChI=1S/C21H16BrN5O/c1-12-7-15(11-24)8-13(2)20(12)28-21-19(22)17(25)9-18(27-21)26-16-5-3-14(10-23)4-6-16/h3-9H,1-2H3,(H3,25,26,27)