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

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3,4-diethoxybenzyl)pyrazole-3-carboxamide Formula: C21H26BrN5O3 MolecularWeight: 476.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)OCC

InChI

InChI=1S/C21H26BrN5O3/c1-5-29-18-8-7-16(11-19(18)30-6-2)12-23-21(28)17-9-10-26(25-17)13-27-15(4)20(22)14(3)24-27/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)