1-(6,7-dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol

Systemtic Name: 1-(6,7-dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Openeye Name: 1-(6,7-dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol CAS Name: 1-(6,7-dimethyl-1-phenyl-3-pyrazolo[4,3-b]quinoxalinyl)butane-1,2,3,4-tetrol IUPAC Name: 1-(6,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Traditional Name: 1-(6,7-dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(C(C(CO)O)O)O

InChI

InChI=1S/C21H22N4O4/c1-11-8-14-15(9-12(11)2)23-21-18(22-14)17(20(29)19(28)16(27)10-26)24-25(21)13-6-4-3-5-7-13/h3-9,16,19-20,26-29H,10H2,1-2H3