4-bromanyl-N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[[2-(1-pyrazolylmethyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[[2-(pyrazol-1-ylmethyl)benzyl]amino]propyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=CC=N3

InChI

InChI=1S/C21H21BrN4O2/c22-19-8-6-16(7-9-19)21(28)23-12-10-20(27)24-14-17-4-1-2-5-18(17)15-26-13-3-11-25-26/h1-9,11,13H,10,12,14-15H2,(H,23,28)(H,24,27)