4-(2-chlorophenyl)-3-oxidanylidene-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile

Systemtic Name: 4-(2-chlorophenyl)-3-oxidanylidene-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 4-(2-chlorophenyl)-3-oxo-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 4-(2-chlorophenyl)-3-oxo-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 4-(2-chlorophenyl)-3-oxo-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 4-(2-chlorophenyl)-3-keto-6-propyl-1,2,4,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C16H15ClN4O MolecularWeight: 314.7695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=C(N1)NNC2=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCCC1=C(C(C2=C(N1)NNC2=O)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C16H15ClN4O/c1-2-5-12-10(8-18)13(9-6-3-4-7-11(9)17)14-15(19-12)20-21-16(14)22/h3-4,6-7,13H,2,5H2,1H3,(H3,19,20,21,22)