1-ethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1-ethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1-ethyl-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-ethyl-N-[4-(3-ketopiperazino)benzyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)N5CCNC(=O)C5

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)N5CCNC(=O)C5

InChI

InChI=1S/C26H26N6O2/c1-2-32-25-22(16-29-32)21(14-23(30-25)19-6-4-3-5-7-19)26(34)28-15-18-8-10-20(11-9-18)31-13-12-27-24(33)17-31/h3-11,14,16H,2,12-13,15,17H2,1H3,(H,27,33)(H,28,34)