4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-quinolin-8-ylethyl)benzamide

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-quinolin-8-ylethyl)benzamide Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-(8-quinolyl)ethyl]benzamide CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[2-(8-quinolinyl)ethyl]benzamide IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-quinolin-8-ylethyl)benzamide Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-(8-quinolyl)ethyl]benzamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C)Br

InChI

InChI=1S/C23H21BrN4O/c1-15-21(24)16(2)28(27-15)20-10-8-19(9-11-20)23(29)26-14-12-18-6-3-5-17-7-4-13-25-22(17)18/h3-11,13H,12,14H2,1-2H3,(H,26,29)