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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-imidazo[4,5-b]pyridine-6-carbonitrile Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-3-(4-hydroxycyclohexyl)-2-oxo-imidazo[4,5-b]pyridine-6-carbonitrile CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(4-hydroxycyclohexyl)-2-oxo-6-imidazo[4,5-b]pyridinecarbonitrile IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(4-hydroxycyclohexyl)-2-oxoimidazo[4,5-b]pyridine-6-carbonitrile Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-3-(4-hydroxycyclohexyl)-2-keto-imidazo[4,5-b]pyridine-6-carbonitrile Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(N=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(N=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Br

InChI

InChI=1S/C21H21BrN4O3/c1-29-19-7-2-13(8-17(19)22)12-25-18-9-14(10-23)11-24-20(18)26(21(25)28)15-3-5-16(27)6-4-15/h2,7-9,11,15-16,27H,3-6,12H2,1H3