3-(4-methylphenyl)-5-[(phenethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-(4-methylphenyl)-5-[(phenethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 5-[(phenethylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-(4-methylphenyl)-5-[(phenethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-(4-methylphenyl)-5-[(phenethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[(phenethylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O/c1-20-12-14-22(15-13-20)26-25-18-23(19-29-17-16-21-8-4-2-5-9-21)28(33)30-27(25)32(31-26)24-10-6-3-7-11-24/h2-15,18,29,31H,16-17,19H2,1H3