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

Systemtic Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclohexylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclohexylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclohexylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclohexylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclohexylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C23H29ClN4O MolecularWeight: 412.95556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNC4CCCCC4

InChI

InChI=1S/C23H29ClN4O/c1-23(2,3)20-19-13-15(14-25-17-7-5-4-6-8-17)22(29)26-21(19)28(27-20)18-11-9-16(24)10-12-18/h9-13,17,25,27H,4-8,14H2,1-3H3