4,5-bis(bromanyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1H-pyrazole-3-carboxamide Formula: C21H21Br2N3O4 MolecularWeight: 539.21714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Br2N3O4/c1-3-28-16-10-5-13(11-17(16)29-4-2)12-30-15-8-6-14(7-9-15)24-21(27)19-18(22)20(23)26-25-19/h5-11H,3-4,12H2,1-2H3,(H,24,27)(H,25,26)