4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrazol-3-yl]benzoic acid Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C3=CC(=NN3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C3=CC(=NN3)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C22H24N4O2/c1-21(2)9-10-22(3,4)19-18(21)23-12-17(24-19)16-11-15(25-26-16)13-5-7-14(8-6-13)20(27)28/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)(H,27,28)