4-bromanyl-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-2-methyl-pyrazole-3-carboxamide Formula: C19H22BrN5O3 MolecularWeight: 448.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3C)Br)OCC

InChI

InChI=1S/C19H22BrN5O3/c1-4-27-16-7-6-13(8-17(16)28-5-2)11-25-12-14(9-22-25)23-19(26)18-15(20)10-21-24(18)3/h6-10,12H,4-5,11H2,1-3H3,(H,23,26)