N-(4-butylphenyl)-3-(1,3,4-trimethyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Systemtic Name: N-(4-butylphenyl)-3-(1,3,4-trimethyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide Openeye Name: N-(4-butylphenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide CAS Name: N-(4-butylphenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide IUPAC Name: N-(4-butylphenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide Traditional Name: N-(4-butylphenyl)-3-(6-keto-1,3,4-trimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propionamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCC2=C(C3=C(NN(C3=NC2=O)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCC2=C(C3=C(NN(C3=NC2=O)C)C)C

InChI

InChI=1S/C22H28N4O2/c1-5-6-7-16-8-10-17(11-9-16)23-19(27)13-12-18-14(2)20-15(3)25-26(4)21(20)24-22(18)28/h8-11,25H,5-7,12-13H2,1-4H3,(H,23,27)