3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-diethoxybenzyl)propionamide Formula: C19H26BrN3O3 MolecularWeight: 424.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C)Br)C)OCC

InChI

InChI=1S/C19H26BrN3O3/c1-5-25-16-8-7-15(11-17(16)26-6-2)12-21-18(24)9-10-23-14(4)19(20)13(3)22-23/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,24)