3-(4-bromanylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propionamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=C(C=N3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=C(C=N3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN5O/c23-19-14-25-27(16-19)12-11-21(29)24-13-18-15-28(20-9-5-2-6-10-20)26-22(18)17-7-3-1-4-8-17/h1-10,14-16H,11-13H2,(H,24,29)