4-(4-bromanylpyrazol-1-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

InChI

InChI=1S/C22H20BrN5O/c1-15-21(16(2)28(26-15)20-6-4-3-5-7-20)13-24-22(29)17-8-10-19(11-9-17)27-14-18(23)12-25-27/h3-12,14H,13H2,1-2H3,(H,24,29)