azepan-1-yl-[(2-bromanyl-4-nitro-phenyl)amino]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-phosphanium

Systemtic Name: azepan-1-yl-[(2-bromanyl-4-nitro-phenyl)amino]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-phosphanium Openeye Name: azepan-1-yl-(2-bromo-4-nitro-anilino)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-phosphonium CAS Name: 1-azepanyl-(2-bromo-4-nitroanilino)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-phenylphosphonium IUPAC Name: azepan-1-yl-(2-bromo-4-nitroanilino)-(3,5-dimethyl-1-phenylpyrazol-4-yl)-phenylphosphanium Traditional Name: azepan-1-yl-(2-bromo-4-nitro-anilino)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-phosphonium Formula: C29H32BrN5O2P+ MolecularWeight: 593.474441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(NC4=C(C=C(C=C4)[N+](=O)[O-])Br)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(NC4=C(C=C(C=C4)[N+](=O)[O-])Br)N5CCCCCC5

InChI

InChI=1S/C29H32BrN5O2P/c1-22-29(23(2)34(31-22)24-13-7-5-8-14-24)38(26-15-9-6-10-16-26,33-19-11-3-4-12-20-33)32-28-18-17-25(35(36)37)21-27(28)30/h5-10,13-18,21,32H,3-4,11-12,19-20H2,1-2H3/q+1