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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C18H20BrN5O MolecularWeight: 402.2883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C)Br

InChI

InChI=1S/C18H20BrN5O/c1-12-17(19)13(2)24(22-12)14(3)18(25)21-16-7-4-6-15(10-16)11-23-9-5-8-20-23/h4-10,14H,11H2,1-3H3,(H,21,25)