1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-diethoxyphosphoryl-N-(phenylmethyl)methanamine

Systemtic Name: 1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-diethoxyphosphoryl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-diethoxyphosphoryl-methanamine CAS Name: 1-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-1-diethoxyphosphoryl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1-diethoxyphosphorylmethanamine Traditional Name: benzyl-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-diethoxyphosphoryl-methyl]amine Formula: C27H29BrN3O3P MolecularWeight: 554.415221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)NCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)NCC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H29BrN3O3P/c1-3-33-35(32,34-4-2)27(29-19-21-11-7-5-8-12-21)25-20-31(24-13-9-6-10-14-24)30-26(25)22-15-17-23(28)18-16-22/h5-18,20,27,29H,3-4,19H2,1-2H3