1-(5-azanyl-4-bromanyl-3-phenyl-pyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-(5-azanyl-4-bromanyl-3-phenyl-pyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-(5-amino-4-bromo-3-phenyl-pyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-(5-amino-4-bromo-3-phenyl-1-pyrazolyl)-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-(5-amino-4-bromo-3-phenylpyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(5-amino-4-bromo-3-phenyl-pyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)Br)N)OC

InChI

InChI=1S/C19H18BrN3O3/c1-25-14-9-8-12(10-15(14)26-2)11-16(24)23-19(21)17(20)18(22-23)13-6-4-3-5-7-13/h3-10H,11,21H2,1-2H3