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

Systemtic Name: [[(phenylmethyl)amino]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]phosphonic acid hydrochloride Openeye Name: [(benzylamino)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]phosphonic acid hydrochloride CAS Name: [[(phenylmethyl)amino]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]phosphonic acid hydrochloride IUPAC Name: [(benzylamino)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]phosphonic acid hydrochloride Traditional Name: [(benzylamino)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]phosphonic acid hydrochloride Formula: C22H22ClN4O3P MolecularWeight: 456.861841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)P(=O)(O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)P(=O)(O)O.Cl

InChI

InChI=1S/C22H21N4O3P.ClH/c27-30(28,29)22(24-14-17-8-3-1-4-9-17)20-16-26(19-11-5-2-6-12-19)25-21(20)18-10-7-13-23-15-18;/h1-13,15-16,22,24H,14H2,(H2,27,28,29);1H