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

Systemtic Name: 4-[5-bromanyl-2-[(5-isocyanopyridin-2-yl)amino]pyridin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-[(5-isocyano-2-pyridyl)amino]-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[(5-isocyano-2-pyridinyl)amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-[(5-isocyanopyridin-2-yl)amino]pyridin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-[(5-isocyano-2-pyridyl)amino]-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile Formula: C20H14BrN5O MolecularWeight: 420.26206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=NC=C2Br)NC3=NC=C(C=C3)[N+]#[C-])C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=NC=C2Br)NC3=NC=C(C=C3)[N+]#[C-])C)C#N

InChI

InChI=1S/C20H14BrN5O/c1-12-6-14(9-22)7-13(2)20(12)27-17-8-19(25-11-16(17)21)26-18-5-4-15(23-3)10-24-18/h4-8,10-11H,1-2H3,(H,24,25,26)