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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=N1)CC2=CC=CC(=C2)C)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=NN(C=N1)CC2=CC=CC(=C2)C)N3C=C(C=N3)Br

InChI

InChI=1S/C17H19BrN6O/c1-3-15(24-10-14(18)8-20-24)16(25)21-17-19-11-23(22-17)9-13-6-4-5-12(2)7-13/h4-8,10-11,15H,3,9H2,1-2H3,(H,21,22,25)