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

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-5-[[(phenylmethyl)amino]methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 5-[(benzylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-(4-methylphenyl)-1-phenyl-5-[[(phenylmethyl)amino]methyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[(benzylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C27H24N4O MolecularWeight: 420.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c1-19-12-14-21(15-13-19)25-24-16-22(18-28-17-20-8-4-2-5-9-20)27(32)29-26(24)31(30-25)23-10-6-3-7-11-23/h2-16,28,30H,17-18H2,1H3