3-[4-[diethoxyphosphoryl-[(phenylmethyl)amino]methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one

Systemtic Name: 3-[4-[diethoxyphosphoryl-[(phenylmethyl)amino]methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one Openeye Name: 3-[4-[(benzylamino)-diethoxyphosphoryl-methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one CAS Name: 3-[4-[diethoxyphosphoryl-[(phenylmethyl)amino]methyl]-1-phenyl-3-pyrazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(benzylamino)-diethoxyphosphorylmethyl]-1-phenylpyrazol-3-yl]chromen-2-one Traditional Name: 3-[4-[(benzylamino)-diethoxyphosphoryl-methyl]-1-phenyl-pyrazol-3-yl]coumarin Formula: C30H30N3O5P MolecularWeight: 543.550061

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)NCC5=CC=CC=C5)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)NCC5=CC=CC=C5)OCC

InChI

InChI=1S/C30H30N3O5P/c1-3-36-39(35,37-4-2)29(31-20-22-13-7-5-8-14-22)26-21-33(24-16-9-6-10-17-24)32-28(26)25-19-23-15-11-12-18-27(23)38-30(25)34/h5-19,21,29,31H,3-4,20H2,1-2H3