3-(3-bromanyl-4-methoxy-phenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[2-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC=C2CN3C=CC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC=C2CN3C=CC=N3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-26-19-9-7-15(13-17(19)21)8-10-20(25)23-18-6-3-2-5-16(18)14-24-12-4-11-22-24/h2-7,9,11-13H,8,10,14H2,1H3,(H,23,25)