4-(2-bromanyl-3-cyano-phenyl)-6-(2-oxidanylidenepropyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Systemtic Name: 4-(2-bromanyl-3-cyano-phenyl)-6-(2-oxidanylidenepropyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 6-acetonyl-4-(2-bromo-3-cyano-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 4-(2-bromo-3-cyanophenyl)-6-(2-oxopropyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 4-(2-bromo-3-cyanophenyl)-6-(2-oxopropyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 6-acetonyl-4-(2-bromo-3-cyano-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C17H12BrN5O MolecularWeight: 382.21408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)C#N

Isomeric SMILES

CC(=O)CC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)C#N

InChI

InChI=1S/C17H12BrN5O/c1-9(24)5-14-12(7-20)15(13-8-21-23-17(13)22-14)11-4-2-3-10(6-19)16(11)18/h2-4,8,15H,5H2,1H3,(H2,21,22,23)