4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-quinolin-8-yl-benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-quinolin-8-yl-benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(8-quinolyl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(8-quinolinyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-8-ylbenzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(8-quinolyl)benzamide Formula: C22H19BrN4O MolecularWeight: 435.31646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)C)Br

InChI

InChI=1S/C22H19BrN4O/c1-14-20(23)15(2)27(26-14)13-16-8-10-18(11-9-16)22(28)25-19-7-3-5-17-6-4-12-24-21(17)19/h3-12H,13H2,1-2H3,(H,25,28)