4-bromanyl-N-[3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Openeye Name: 4-bromo-N-[2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide CAS Name: 4-bromo-N-[3-methyl-1-oxo-1-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]benzamide IUPAC Name: 4-bromo-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Traditional Name: 4-bromo-N-[2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide Formula: C22H23BrN4O2 MolecularWeight: 455.34762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O2/c1-15(2)20(26-21(28)17-8-10-18(23)11-9-17)22(29)24-12-16-13-25-27(14-16)19-6-4-3-5-7-19/h3-11,13-15,20H,12H2,1-2H3,(H,24,29)(H,26,28)