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

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[4-(3,4-diethoxybenzyl)oxyphenyl]pyrazole-3-carboxamide Formula: C28H28BrN3O5 MolecularWeight: 566.44302

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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=C3)COC4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)OCC

InChI

InChI=1S/C28H28BrN3O5/c1-3-34-26-14-5-20(17-27(26)35-4-2)18-36-23-12-8-22(9-13-23)30-28(33)25-15-16-32(31-25)19-37-24-10-6-21(29)7-11-24/h5-17H,3-4,18-19H2,1-2H3,(H,30,33)