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

Systemtic Name: 4-[(3-bromophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride Openeye Name: 4-[(3-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride CAS Name: 4-[(3-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrochloride IUPAC Name: 4-[(3-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrochloride Traditional Name: 4-[(3-bromophenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrochloride Formula: C29H28BrClN4O2 MolecularWeight: 579.91522

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H27BrN4O2.ClH/c1-19-25(28(35)33(31(19)3)23-14-7-5-8-15-23)27(21-12-11-13-22(30)18-21)26-20(2)32(4)34(29(26)36)24-16-9-6-10-17-24;/h5-18,27H,1-4H3;1H