3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(quinolin-6-ylmethyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(quinolin-6-ylmethyl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(6-quinolylmethyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(6-quinolinylmethyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(quinolin-6-ylmethyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(6-quinolylmethyl)benzamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)N=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)N=CC=C4)C)Br

InChI

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