1-[2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: 1-[2-[2-(5-bromo-3-pyridinyl)-1-oxoethyl]-1-pyrazolidinyl]-3-(2,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[2-[2-(5-bromopyridin-3-yl)acetyl]pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C21H22BrN3O4/c1-28-18-5-6-19(29-2)16(12-18)4-7-20(26)24-8-3-9-25(24)21(27)11-15-10-17(22)14-23-13-15/h4-7,10,12-14H,3,8-9,11H2,1-2H3