azepan-1-yl-(2-bromanyl-4-nitro-phenyl)imino-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-$l^{5}-phosphane

Systemtic Name: azepan-1-yl-(2-bromanyl-4-nitro-phenyl)imino-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-$l^{5}-phosphane Openeye Name: azepan-1-yl-(2-bromo-4-nitro-phenyl)imino-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-$l^{5}-phosphane CAS Name: 1-azepanyl-(2-bromo-4-nitrophenyl)imino-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-phenylphosphorane IUPAC Name: azepan-1-yl-(2-bromo-4-nitrophenyl)imino-(3,5-dimethyl-1-phenylpyrazol-4-yl)-phenyl-$l^{5}-phosphane Traditional Name: azepan-1-yl-(2-bromo-4-nitro-phenyl)imino-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-phosphorane Formula: C29H31BrN5O2P MolecularWeight: 592.466501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)P(=NC3=C(C=C(C=C3)[N+](=O)[O-])Br)(C4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)P(=NC3=C(C=C(C=C3)[N+](=O)[O-])Br)(C4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C29H31BrN5O2P/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/h5-10,13-18,21H,3-4,11-12,19-20H2,1-2H3