2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-(1-naphthylmethyl)pyrazol-4-yl]acetamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[1-(1-naphthalenylmethyl)-4-pyrazolyl]acetamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-(1-naphthylmethyl)pyrazol-4-yl]acetamide Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C)Br

InChI

InChI=1S/C21H20BrN5O/c1-14-21(22)15(2)27(25-14)13-20(28)24-18-10-23-26(12-18)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,24,28)