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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C17H19BrN6O MolecularWeight: 403.27636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C(C)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H19BrN6O/c1-12-5-3-4-6-14(12)9-24-11-19-17(22-24)21-16(25)13(2)8-23-10-15(18)7-20-23/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,22,25)