2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]propionamide Formula: C22H28BrN5O3 MolecularWeight: 490.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C)OCC

InChI

InChI=1S/C22H28BrN5O3/c1-6-30-19-9-8-17(10-20(19)31-7-2)12-27-13-18(11-24-27)25-22(29)16(5)28-15(4)21(23)14(3)26-28/h8-11,13,16H,6-7,12H2,1-5H3,(H,25,29)