2-(4-bromanylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C16H17BrN6O MolecularWeight: 389.24978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C(C)N3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C(C)N3C=C(C=N3)Br

InChI

InChI=1S/C16H17BrN6O/c1-11-3-5-13(6-4-11)8-22-10-18-16(21-22)20-15(24)12(2)23-9-14(17)7-19-23/h3-7,9-10,12H,8H2,1-2H3,(H,20,21,24)