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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-butylphenyl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-butylphenyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-butylphenyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-butylphenyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-butylphenyl)benzamide Formula: C23H26BrN3O MolecularWeight: 440.37604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C23H26BrN3O/c1-4-5-7-18-10-12-21(13-11-18)25-23(28)20-9-6-8-19(14-20)15-27-17(3)22(24)16(2)26-27/h6,8-14H,4-5,7,15H2,1-3H3,(H,25,28)