2-bromanyl-N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]benzamide Openeye Name: 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-8-quinolyl]benzamide CAS Name: 2-bromo-N-[2-(3,5-dimethyl-1-pyrazolyl)-8-quinolinyl]benzamide IUPAC Name: 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]benzamide Traditional Name: 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-8-quinolyl]benzamide Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC=C3NC(=O)C4=CC=CC=C4Br)C=C2)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC=C3NC(=O)C4=CC=CC=C4Br)C=C2)C

InChI

InChI=1S/C21H17BrN4O/c1-13-12-14(2)26(25-13)19-11-10-15-6-5-9-18(20(15)24-19)23-21(27)16-7-3-4-8-17(16)22/h3-12H,1-2H3,(H,23,27)