N-(4-phenylbutyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide

Systemtic Name: N-(4-phenylbutyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-(4-phenylbutyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-(4-phenylbutyl)-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(4-phenylbutyl)-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-(4-phenylbutyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4OS/c33-28(30-17-8-7-12-21-10-3-1-4-11-21)26-25-23(24-15-9-19-34-24)16-18-29-27(25)32(31-26)20-22-13-5-2-6-14-22/h1-6,9-11,13-16,18-19H,7-8,12,17,20H2,(H,30,33)