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

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)C)Br

InChI

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