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

Systemtic Name: 3-tert-butyl-5-[[(4-cyclohexylphenyl)amino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-tert-butyl-5-[(4-cyclohexylanilino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-tert-butyl-5-[(4-cyclohexylanilino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-tert-butyl-5-[(4-cyclohexylanilino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-tert-butyl-5-[(4-cyclohexylanilino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C29H34N4O MolecularWeight: 454.60646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H34N4O/c1-29(2,3)26-25-18-22(28(34)31-27(25)33(32-26)24-12-8-5-9-13-24)19-30-23-16-14-21(15-17-23)20-10-6-4-7-11-20/h5,8-9,12-18,20,30,32H,4,6-7,10-11,19H2,1-3H3