3-(4-bromanylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(3,4-diethoxybenzyl)propionamide Formula: C17H22BrN3O3 MolecularWeight: 396.27888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O3/c1-3-23-15-6-5-13(9-16(15)24-4-2)10-19-17(22)7-8-21-12-14(18)11-20-21/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,22)