N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-2-(phenethylamino)ethanamide

Systemtic Name: N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-2-(phenethylamino)ethanamide Openeye Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-2-(phenethylamino)acetamide CAS Name: N-[3-(4-bromo-2-methyl-3-pyrazolyl)-4-methoxyphenyl]-2-(phenethylamino)acetamide IUPAC Name: N-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-2-(phenethylamino)acetamide Traditional Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-2-(phenethylamino)acetamide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)CNCCC3=CC=CC=C3)OC

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)CNCCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23BrN4O2/c1-26-21(18(22)13-24-26)17-12-16(8-9-19(17)28-2)25-20(27)14-23-11-10-15-6-4-3-5-7-15/h3-9,12-13,23H,10-11,14H2,1-2H3,(H,25,27)