3-[(4-bromanylphenoxy)methyl]-4-methoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-methoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-4-methoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-4-methoxy-N-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-methoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-4-methoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O3/c1-31-24-12-5-19(15-20(24)17-32-23-10-6-21(26)7-11-23)25(30)28-22-8-3-18(4-9-22)16-29-14-2-13-27-29/h2-15H,16-17H2,1H3,(H,28,30)