4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1-methyl-pyrazole-3-carboxamide Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3Br)C)OCC

InChI

InChI=1S/C22H24BrN3O4/c1-4-28-19-11-6-15(12-20(19)29-5-2)14-30-17-9-7-16(8-10-17)24-22(27)21-18(23)13-26(3)25-21/h6-13H,4-5,14H2,1-3H3,(H,24,27)