4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrochloride IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrochloride Traditional Name: 4-[(2-hydroxyphenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrochloride Formula: C29H29ClN4O3 MolecularWeight: 517.01856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C.Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C.Cl

InChI

InChI=1S/C29H28N4O3.ClH/c1-19-25(28(35)32(30(19)3)21-13-7-5-8-14-21)27(23-17-11-12-18-24(23)34)26-20(2)31(4)33(29(26)36)22-15-9-6-10-16-22;/h5-18,27,34H,1-4H3;1H