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

Systemtic Name: [4-[(2-bromophenyl)amino]-7-tert-butyl-imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Openeye Name: [4-(2-bromoanilino)-7-tert-butyl-imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid CAS Name: [4-(2-bromoanilino)-7-tert-butyl-3-imidazo[1,5-a]quinoxalinyl]phosphonic acid IUPAC Name: [4-(2-bromoanilino)-7-tert-butylimidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Traditional Name: [4-(2-bromoanilino)-7-tert-butyl-imidazo[1,5-a]quinoxalin-3-yl]phosphonic acid Formula: C20H20BrN4O3P MolecularWeight: 475.275561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N3C=NC(=C3C(=N2)NC4=CC=CC=C4Br)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N3C=NC(=C3C(=N2)NC4=CC=CC=C4Br)P(=O)(O)O

InChI

InChI=1S/C20H20BrN4O3P/c1-20(2,3)12-8-9-16-15(10-12)24-18(23-14-7-5-4-6-13(14)21)17-19(29(26,27)28)22-11-25(16)17/h4-11H,1-3H3,(H,23,24)(H2,26,27,28)