1-diethoxyphosphoryl-1-(1,3-diphenylpyrazol-4-yl)-N-(phenylmethyl)methanamine

Systemtic Name: 1-diethoxyphosphoryl-1-(1,3-diphenylpyrazol-4-yl)-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-diethoxyphosphoryl-1-(1,3-diphenylpyrazol-4-yl)methanamine CAS Name: 1-diethoxyphosphoryl-1-(1,3-diphenyl-4-pyrazolyl)-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-diethoxyphosphoryl-1-(1,3-diphenylpyrazol-4-yl)methanamine Traditional Name: benzyl-[diethoxyphosphoryl-(1,3-diphenylpyrazol-4-yl)methyl]amine Formula: C27H30N3O3P MolecularWeight: 475.519161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N3O3P/c1-3-32-34(31,33-4-2)27(28-20-22-14-8-5-9-15-22)25-21-30(24-18-12-7-13-19-24)29-26(25)23-16-10-6-11-17-23/h5-19,21,27-28H,3-4,20H2,1-2H3