[7-tert-butyl-4-[(2,6-dimethylphenyl)amino]imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid

Systemtic Name: [7-tert-butyl-4-[(2,6-dimethylphenyl)amino]imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Openeye Name: [7-tert-butyl-4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid CAS Name: [7-tert-butyl-4-(2,6-dimethylanilino)-3-imidazo[1,5-a]quinoxalinyl]phosphonic acid IUPAC Name: [7-tert-butyl-4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Traditional Name: [7-tert-butyl-4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Formula: C22H25N4O3P MolecularWeight: 424.432661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC3=C(C=CC(=C3)C(C)(C)C)N4C2=C(N=C4)P(=O)(O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC3=C(C=CC(=C3)C(C)(C)C)N4C2=C(N=C4)P(=O)(O)O

InChI

InChI=1S/C22H25N4O3P/c1-13-7-6-8-14(2)18(13)25-20-19-21(30(27,28)29)23-12-26(19)17-10-9-15(22(3,4)5)11-16(17)24-20/h6-12H,1-5H3,(H,24,25)(H2,27,28,29)