4-bromanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

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