methyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(1-ethyl-4-pyrazolo[3,4-b]quinolinyl)amino]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexanecarboxylic acid methyl ester Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=CC=CC=C3C(=C2C=N1)NCC4CCC(CC4)C(=O)OC

Isomeric SMILES

CCN1C2=NC3=CC=CC=C3C(=C2C=N1)NCC4CCC(CC4)C(=O)OC

InChI

InChI=1S/C21H26N4O2/c1-3-25-20-17(13-23-25)19(16-6-4-5-7-18(16)24-20)22-12-14-8-10-15(11-9-14)21(26)27-2/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,24)