1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one

Systemtic Name: 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one Openeye Name: 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolo[3,4-b]quinolinyl)amino]phenyl]-1-propanone IUPAC Name: 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one Traditional Name: 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)NC2=C3C(=NN(C3=NC4=CC=CC=C42)C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)NC2=C3C(=NN(C3=NC4=CC=CC=C42)C)C

InChI

InChI=1S/C21H20N4O/c1-4-18(26)14-9-11-15(12-10-14)22-20-16-7-5-6-8-17(16)23-21-19(20)13(2)24-25(21)3/h5-12H,4H2,1-3H3,(H,22,23)