2-(4-bromanylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 2-(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)C(C)N2C=C(C=N2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C(C)N2C=C(C=N2)Br)OCC

InChI

InChI=1S/C17H22BrN3O3/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-19-17(22)12(3)21-11-14(18)10-20-21/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,22)