[(S)-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-phenyl-methyl]phosphonic acid

Systemtic Name: [(S)-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-phenyl-methyl]phosphonic acid Openeye Name: [(S)-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-phenyl-methyl]phosphonic acid CAS Name: [(S)-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-phenylmethyl]phosphonic acid IUPAC Name: [(S)-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-phenylmethyl]phosphonic acid Traditional Name: [(S)-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-phenyl-methyl]phosphonic acid Formula: C18H20N3O4P MolecularWeight: 373.342861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N[C@H](C3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C18H20N3O4P/c1-13-16(18(22)21(20(13)2)15-11-7-4-8-12-15)19-17(26(23,24)25)14-9-5-3-6-10-14/h3-12,17,19H,1-2H3,(H2,23,24,25)/t17-/m0/s1