4-(2-chlorophenyl)-2-pent-4-enoyl-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile

Systemtic Name: 4-(2-chlorophenyl)-2-pent-4-enoyl-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 4-(2-chlorophenyl)-2-pent-4-enoyl-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 4-(2-chlorophenyl)-2-(1-oxopent-4-enyl)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 4-(2-chlorophenyl)-2-pent-4-enoyl-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 4-(2-chlorophenyl)-2-pent-4-enoyl-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CN(NC2=N1)C(=O)CCC=C)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCCC1=C(C(C2=CN(NC2=N1)C(=O)CCC=C)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H21ClN4O/c1-3-5-11-19(27)26-13-16-20(14-9-6-7-10-17(14)22)15(12-23)18(8-4-2)24-21(16)25-26/h3,6-7,9-10,13,20H,1,4-5,8,11H2,2H3,(H,24,25)