1-[(3-bromanyl-4-methoxy-phenoxy)methyl]-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-imidazo[4,5-b]pyridine-6-carbonitrile

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenoxy)methyl]-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-imidazo[4,5-b]pyridine-6-carbonitrile Openeye Name: 1-[(3-bromo-4-methoxy-phenoxy)methyl]-3-(4-hydroxycyclohexyl)-2-oxo-imidazo[4,5-b]pyridine-6-carbonitrile CAS Name: 1-[(3-bromo-4-methoxyphenoxy)methyl]-3-(4-hydroxycyclohexyl)-2-oxo-6-imidazo[4,5-b]pyridinecarbonitrile IUPAC Name: 1-[(3-bromo-4-methoxyphenoxy)methyl]-3-(4-hydroxycyclohexyl)-2-oxoimidazo[4,5-b]pyridine-6-carbonitrile Traditional Name: 1-[(3-bromo-4-methoxy-phenoxy)methyl]-3-(4-hydroxycyclohexyl)-2-keto-imidazo[4,5-b]pyridine-6-carbonitrile Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCN2C3=C(N=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)OCN2C3=C(N=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Br

InChI

InChI=1S/C21H21BrN4O4/c1-29-19-7-6-16(9-17(19)22)30-12-25-18-8-13(10-23)11-24-20(18)26(21(25)28)14-2-4-15(27)5-3-14/h6-9,11,14-15,27H,2-5,12H2,1H3