N-[4-(4-bromanylpyrazol-1-yl)phenyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[4-(4-bromanylpyrazol-1-yl)phenyl]-3,4-diethoxy-benzamide Openeye Name: N-[4-(4-bromopyrazol-1-yl)phenyl]-3,4-diethoxy-benzamide CAS Name: N-[4-(4-bromo-1-pyrazolyl)phenyl]-3,4-diethoxybenzamide IUPAC Name: N-[4-(4-bromopyrazol-1-yl)phenyl]-3,4-diethoxybenzamide Traditional Name: N-[4-(4-bromopyrazol-1-yl)phenyl]-3,4-diethoxy-benzamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=C(C=N3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=C(C=N3)Br)OCC

InChI

InChI=1S/C20H20BrN3O3/c1-3-26-18-10-5-14(11-19(18)27-4-2)20(25)23-16-6-8-17(9-7-16)24-13-15(21)12-22-24/h5-13H,3-4H2,1-2H3,(H,23,25)