4-[(3-bromanyl-5-methyl-pyridin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile

Systemtic Name: 4-[(3-bromanyl-5-methyl-pyridin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile Openeye Name: 4-[(3-bromo-5-methyl-2-pyridyl)amino]-2-methyl-3-(5-oxotetrahydrofuran-2-yl)benzonitrile CAS Name: 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methyl-3-(5-oxo-2-oxolanyl)benzonitrile IUPAC Name: 4-[(3-bromo-5-methylpyridin-2-yl)amino]-2-methyl-3-(5-oxooxolan-2-yl)benzonitrile Traditional Name: 4-[(3-bromo-5-methyl-2-pyridyl)amino]-3-(5-ketotetrahydrofuran-2-yl)-2-methyl-benzonitrile Formula: C18H16BrN3O2 MolecularWeight: 386.24254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)NC2=C(C(=C(C=C2)C#N)C)C3CCC(=O)O3)Br

Isomeric SMILES

CC1=CC(=C(N=C1)NC2=C(C(=C(C=C2)C#N)C)C3CCC(=O)O3)Br

InChI

InChI=1S/C18H16BrN3O2/c1-10-7-13(19)18(21-9-10)22-14-4-3-12(8-20)11(2)17(14)15-5-6-16(23)24-15/h3-4,7,9,15H,5-6H2,1-2H3,(H,21,22)