2-phenyl-4-[(E)-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethenyl]-1H-pyrazol-5-one hydrochloride

Systemtic Name: 2-phenyl-4-[(E)-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethenyl]-1H-pyrazol-5-one hydrochloride Openeye Name: 4-[(E)-2-(2-isopropyloxazol-4-yl)vinyl]-2-phenyl-1H-pyrazol-5-one hydrochloride CAS Name: 2-phenyl-4-[(E)-2-(2-propan-2-yl-4-oxazolyl)ethenyl]-1H-pyrazol-5-one hydrochloride IUPAC Name: 2-phenyl-4-[(E)-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethenyl]-1H-pyrazol-5-one hydrochloride Traditional Name: 4-[(E)-2-(2-isopropyloxazol-4-yl)vinyl]-1-phenyl-3-pyrazolin-3-one hydrochloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CO1)C=CC2=CN(NC2=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)C1=NC(=CO1)/C=C/C2=CN(NC2=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H17N3O2.ClH/c1-12(2)17-18-14(11-22-17)9-8-13-10-20(19-16(13)21)15-6-4-3-5-7-15;/h3-12H,1-2H3,(H,19,21);1H/b9-8+;