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

Systemtic Name: 4-[5-bromanyl-2-[(4-isocyanophenyl)amino]pyridin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-(4-isocyanoanilino)-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-isocyanoanilino)-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-isocyanoanilino)pyridin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-(4-isocyanoanilino)-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile Formula: C21H15BrN4O MolecularWeight: 419.274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O/c1-13-8-15(11-23)9-14(2)21(13)27-19-10-20(25-12-18(19)22)26-17-6-4-16(24-3)5-7-17/h4-10,12H,1-2H3,(H,25,26)