N-[5-(3,5-dimethyl-4-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[5-(3,5-dimethyl-4-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide Openeye Name: N-[5-(4-hydroxy-3,5-dimethyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide CAS Name: N-[5-(4-hydroxy-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinecarboxamide IUPAC Name: N-[5-(4-hydroxy-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide Traditional Name: N-[5-(4-hydroxy-3,5-dimethyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]nicotinamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=CN=C3C(=C2)C(=CN3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=CN=C3C(=C2)C(=CN3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-12-6-15(7-13(2)19(12)26)16-8-17-18(11-24-20(17)23-10-16)25-21(27)14-4-3-5-22-9-14/h3-11,26H,1-2H3,(H,23,24)(H,25,27)