1-diethoxyphosphoryl-N-(phenylmethyl)-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanamine; ethanedioic acid

Systemtic Name: 1-diethoxyphosphoryl-N-(phenylmethyl)-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanamine; ethanedioic acid Openeye Name: N-benzyl-1-diethoxyphosphoryl-1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanamine; oxalic acid CAS Name: 1-diethoxyphosphoryl-N-(phenylmethyl)-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanamine; oxalic acid IUPAC Name: N-benzyl-1-diethoxyphosphoryl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanamine; oxalic acid Traditional Name: benzyl-[diethoxyphosphoryl-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C27H30N3O7PS MolecularWeight: 571.581761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)NCC4=CC=CC=C4)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOP(=O)(C(C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)NCC4=CC=CC=C4)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N3O3PS.C2H2O4/c1-3-30-32(29,31-4-2)25(26-18-20-12-7-5-8-13-20)22-19-28(21-14-9-6-10-15-21)27-24(22)23-16-11-17-33-23;3-1(4)2(5)6/h5-17,19,25-26H,3-4,18H2,1-2H3;(H,3,4)(H,5,6)