4-(4-bromanylpyrazol-1-yl)-N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]benzamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)N4CCCC4=O

InChI

InChI=1S/C21H19BrN4O3/c1-29-19-9-6-16(11-18(19)25-10-2-3-20(25)27)24-21(28)14-4-7-17(8-5-14)26-13-15(22)12-23-26/h4-9,11-13H,2-3,10H2,1H3,(H,24,28)