N-(4-bromanyl-3-methyl-phenyl)-4-[(2-methyl-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-[(2-methyl-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-[(5-keto-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CCN4C3=CC(=N4)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CCN4C3=CC(=N4)C)Br

InChI

InChI=1S/C22H21BrN4O2/c1-14-11-18(7-8-19(14)23)24-22(29)17-5-3-16(4-6-17)13-26-20-12-15(2)25-27(20)10-9-21(26)28/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,29)