[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-[(phenylmethyl)amino]methyl]phosphonic acid

Systemtic Name: [[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-[(phenylmethyl)amino]methyl]phosphonic acid Openeye Name: [(benzylamino)-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl]phosphonic acid CAS Name: [[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-[(phenylmethyl)amino]methyl]phosphonic acid IUPAC Name: [(benzylamino)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methyl]phosphonic acid Traditional Name: [(benzylamino)-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl]phosphonic acid Formula: C26H22N3O5P MolecularWeight: 487.443741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)P(=O)(O)O

InChI

InChI=1S/C26H22N3O5P/c30-26-21(15-19-11-7-8-14-23(19)34-26)24-22(17-29(28-24)20-12-5-2-6-13-20)25(35(31,32)33)27-16-18-9-3-1-4-10-18/h1-15,17,25,27H,16H2,(H2,31,32,33)